All Chemical Compounds: July 2013

Wednesday, July 31, 2013

All Chemical Compounds Information

Product OPENEYE NAME: ethyl 2-[3-(11-cyclopropylundecylamino)phenyl]acetate
CAS Name: 2-[3-(11-cyclopropylundecylamino)phenyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(11-cyclopropylundecylamino)phenyl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(11-cyclopropylundecylamino)phenyl]ethanoate
MOLECULAR FORMULA: C24H39NO2
MOLECULAR WEIGHT: 373.57196
SMILES: CCOC(=O)CC1=CC(=CC=C1)NCCCCCCCCCCCC2CC2
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Product OPENEYE NAME: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
CAS Name: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
IUPAC NAME: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)C
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Product OPENEYE NAME: 3-(undec-10-enylamino)benzaldehyde
CAS Name: 3-(undec-10-enylamino)benzaldehyde
IUPAC NAME: 3-(undec-10-enylamino)benzaldehyde
SYSTEMATIC NAME: 3-(undec-10-enylamino)benzaldehyde
MOLECULAR FORMULA: C18H27NO
MOLECULAR WEIGHT: 273.41308
SMILES: C=CCCCCCCCCCNC1=CC=CC(=C1)C=O
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Product OPENEYE NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid
CAS Name: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]-2-propynoic acid
IUPAC NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C27H41NO2
MOLECULAR WEIGHT: 411.61994
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C#CC(=O)O
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Product OPENEYE NAME: 2,5-dimethylnon-1-ene
CAS Name: 2,5-dimethyl-1-nonene
IUPAC NAME: 2,5-dimethylnon-1-ene
SYSTEMATIC NAME: 2,5-dimethylnon-1-ene
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCCCC(C)CCC(=C)C
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Product OPENEYE NAME: 2-[2-(6-methylenehexadecylamino)phenyl]butanoic acid
CAS Name: 2-[2-(6-methylenehexadecylamino)phenyl]butanoic acid
IUPAC NAME: 2-[2-(6-methylidenehexadecylamino)phenyl]butanoic acid
SYSTEMATIC NAME: 2-[2-(6-methylidenehexadecylamino)phenyl]butanoic acid
MOLECULAR FORMULA: C27H45NO2
MOLECULAR WEIGHT: 415.6517
SMILES: CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1C(CC)C(=O)O
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Product OPENEYE NAME: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
CAS Name: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
IUPAC NAME: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
MOLECULAR FORMULA: C21H33NO2
MOLECULAR WEIGHT: 331.49222
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: benzyl N-(2-chlorocarbonylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
CAS Name: N-(2-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-(2-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(2-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
MOLECULAR FORMULA: C30H38ClNO3
MOLECULAR WEIGHT: 496.08062
SMILES: C=CCCCCCCCC/C=C/CCCN(C1=CC=CC=C1C(=O)Cl)C(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: (E)-3-[2-(allylamino)phenyl]prop-2-enoic acid
CAS Name: (E)-3-[2-(prop-2-enylamino)phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[2-(prop-2-enylamino)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2-(prop-2-enylamino)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: C=CCNC1=CC=CC=C1/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 3-[3-(allylamino)phenyl]-2,3-dibromo-propanoate
CAS Name: 2,3-dibromo-3-[3-(prop-2-enylamino)phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 2,3-dibromo-3-[3-(prop-2-enylamino)phenyl]propanoate
SYSTEMATIC NAME: ethyl 2,3-bis(bromanyl)-3-[3-(prop-2-enylamino)phenyl]propanoate
MOLECULAR FORMULA: C14H17Br2NO2
MOLECULAR WEIGHT: 391.09828
SMILES: CCOC(=O)C(C(C1=CC(=CC=C1)NCC=C)Br)Br
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Product OPENEYE NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
CAS Name: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
IUPAC NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
SYSTEMATIC NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
MOLECULAR FORMULA: C25H39NO2
MOLECULAR WEIGHT: 385.58266
SMILES: CCC(C1=CC=CC=C1NCCC/C=C/CCCCCCCCC=C)C(=O)O
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Product OPENEYE NAME: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 2-[2-(allylamino)phenyl]butanoate
CAS Name: 2-[2-(prop-2-enylamino)phenyl]butanoic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(prop-2-enylamino)phenyl]butanoate
SYSTEMATIC NAME: ethyl 2-[2-(prop-2-enylamino)phenyl]butanoate
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCC(C1=CC=CC=C1NCC=C)C(=O)OCC
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Product OPENEYE NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
CAS Name: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
IUPAC NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
MOLECULAR FORMULA: C24H37NO2
MOLECULAR WEIGHT: 371.55608
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC=C1CCC(=O)O
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Product OPENEYE NAME: 2-(2-aminophenyl)acetyl chloride
CAS Name: 2-(2-aminophenyl)acetyl chloride
IUPAC NAME: 2-(2-aminophenyl)acetyl chloride
SYSTEMATIC NAME: 2-(2-aminophenyl)ethanoyl chloride
MOLECULAR FORMULA: C8H8ClNO
MOLECULAR WEIGHT: 169.60822
SMILES: C1=CC=C(C(=C1)CC(=O)Cl)N
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Product OPENEYE NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetic acid
CAS Name: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetic acid
IUPAC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C22H35NO2
MOLECULAR WEIGHT: 345.5188
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)CC(=O)O
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
CAS Name: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C=O
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All Chemical Compounds Information

Product OPENEYE NAME: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-(1-piperidyl)methanone
CAS Name: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-(1-piperidinyl)methanone
IUPAC NAME: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-piperidin-1-ylmethanone
SYSTEMATIC NAME: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-piperidin-1-yl-methanone
MOLECULAR FORMULA: C27H42N2O
MOLECULAR WEIGHT: 410.63518
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)N2CCCCC2
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Product OPENEYE NAME: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]acetyl chloride hydrochloride
CAS Name: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]acetyl chloride hydrochloride
IUPAC NAME: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]acetyl chloride hydrochloride
SYSTEMATIC NAME: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]ethanoyl chloride hydrochloride
MOLECULAR FORMULA: C23H37Cl2NO
MOLECULAR WEIGHT: 414.45198
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)CC(=O)Cl.Cl
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Product OPENEYE NAME: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]acetyl chloride
CAS Name: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]acetyl chloride
IUPAC NAME: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]acetyl chloride
SYSTEMATIC NAME: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]ethanoyl chloride
MOLECULAR FORMULA: C23H36ClNO
MOLECULAR WEIGHT: 377.99104
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)CC(=O)Cl
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Product OPENEYE NAME: 2-(benzenesulfinyl)-1-[2-(1-cyclopentylethylamino)phenyl]ethanone
CAS Name: 2-(benzenesulfinyl)-1-[2-(1-cyclopentylethylamino)phenyl]ethanone
IUPAC NAME: 2-(benzenesulfinyl)-1-[2-(1-cyclopentylethylamino)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-(1-cyclopentylethylamino)phenyl]-2-(phenylsulfinyl)ethanone
MOLECULAR FORMULA: C21H25NO2S
MOLECULAR WEIGHT: 355.4937
SMILES: CC(C1CCCC1)NC2=CC=CC=C2C(=O)CS(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]oxybutanedioic acid
CAS Name: 2-[oxo-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]methoxy]butanedioic acid
IUPAC NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]oxybutanedioic acid
SYSTEMATIC NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]carbonyloxybutanedioic acid
MOLECULAR FORMULA: C26H37NO6
MOLECULAR WEIGHT: 459.57508
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)OC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: octadec-7-yn-1-ol
CAS Name: 7-octadecyn-1-ol
IUPAC NAME: octadec-7-yn-1-ol
SYSTEMATIC NAME: octadec-7-yn-1-ol
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: CCCCCCCCCCC#CCCCCCCO
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Product OPENEYE NAME: 4-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-4-oxo-butanoic acid
CAS Name: 4-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-4-oxobutanoic acid
IUPAC NAME: 4-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)CCC(=O)O
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Product OPENEYE NAME: ethyl 3-[2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]phenyl]propanoate
CAS Name: 3-[2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-[2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]phenyl]propanoate
MOLECULAR FORMULA: C26H39NO2
MOLECULAR WEIGHT: 397.59336
SMILES: CCOC(=O)CCC1=CC=CC=C1NC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
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Product OPENEYE NAME: 1-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanone
CAS Name: 1-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanone
IUPAC NAME: 1-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanone
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)C
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Product OPENEYE NAME: 2-[3-[(2-butylcyclopropyl)methylamino]phenyl]butanoic acid
CAS Name: 2-[3-[(2-butylcyclopropyl)methylamino]phenyl]butanoic acid
IUPAC NAME: 2-[3-[(2-butylcyclopropyl)methylamino]phenyl]butanoic acid
SYSTEMATIC NAME: 2-[3-[(2-butylcyclopropyl)methylamino]phenyl]butanoic acid
MOLECULAR FORMULA: C18H27NO2
MOLECULAR WEIGHT: 289.41248
SMILES: CCCCC1CC1CNC2=CC=CC(=C2)C(CC)C(=O)O
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Product OPENEYE NAME: 3-[3-(allylamino)benzoyl]pentane-2,4-dione
CAS Name: 3-[oxo-[3-(prop-2-enylamino)phenyl]methyl]pentane-2,4-dione
IUPAC NAME: 3-[3-(prop-2-enylamino)benzoyl]pentane-2,4-dione
SYSTEMATIC NAME: 3-[3-(prop-2-enylamino)phenyl]carbonylpentane-2,4-dione
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CC(=O)C(C(=O)C)C(=O)C1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 2-(allylamino)benzaldehyde
CAS Name: 2-(prop-2-enylamino)benzaldehyde
IUPAC NAME: 2-(prop-2-enylamino)benzaldehyde
SYSTEMATIC NAME: 2-(prop-2-enylamino)benzaldehyde
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C=CCNC1=CC=CC=C1C=O
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Product OPENEYE NAME: 3-[2-[[(E)-hept-3-enyl]amino]phenyl]-3-oxo-propanoic acid
CAS Name: 3-[2-[[(E)-hept-3-enyl]amino]phenyl]-3-oxopropanoic acid
IUPAC NAME: 3-[2-[[(E)-hept-3-enyl]amino]phenyl]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[2-[[(E)-hept-3-enyl]amino]phenyl]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CCC/C=C/CCNC1=CC=CC=C1C(=O)CC(=O)O
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Product OPENEYE NAME: (E)-3-[2-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[2-[(2-butylcyclopropyl)methylamino]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[2-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CCCCC1CC1CNC2=CC=CC=C2/C=C/C(=O)O
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Product OPENEYE NAME: diethyl 2-[2-[2-(allylamino)phenyl]acetyl]oxy-3-hydroxy-butanedioate
CAS Name: 2-hydroxy-3-[1-oxo-2-[2-(prop-2-enylamino)phenyl]ethoxy]butanedioic acid diethyl ester
IUPAC NAME: diethyl 2-hydroxy-3-[2-[2-(prop-2-enylamino)phenyl]acetyl]oxybutanedioate
SYSTEMATIC NAME: diethyl 2-oxidanyl-3-[2-[2-(prop-2-enylamino)phenyl]ethanoyloxy]butanedioate
MOLECULAR FORMULA: C19H25NO7
MOLECULAR WEIGHT: 379.4043
SMILES: CCOC(=O)C(C(C(=O)OCC)OC(=O)CC1=CC=CC=C1NCC=C)O
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Product OPENEYE NAME: 1-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]ethanone
CAS Name: 1-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]ethanone
IUPAC NAME: 1-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]ethanone
MOLECULAR FORMULA: C23H35NO
MOLECULAR WEIGHT: 341.5301
SMILES: CC(=O)C1=CC(=CC=C1)NCCC/C=C/CCCCCCCCC=C
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Product OPENEYE NAME: 2-[(2-butylcyclopropyl)methylamino]benzonitrile
CAS Name: 2-[(2-butylcyclopropyl)methylamino]benzonitrile
IUPAC NAME: 2-[(2-butylcyclopropyl)methylamino]benzonitrile
SYSTEMATIC NAME: 2-[(2-butylcyclopropyl)methylamino]benzenecarbonitrile
MOLECULAR FORMULA: C15H20N2
MOLECULAR WEIGHT: 228.3327
SMILES: CCCCC1CC1CNC2=CC=CC=C2C#N
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Product OPENEYE NAME: benzyl 2-[3-(2-chloro-2-oxo-ethyl)anilino]but-3-enoate
CAS Name: 2-[3-(2-chloro-2-oxoethyl)anilino]-3-butenoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-[3-(2-chloro-2-oxoethyl)anilino]but-3-enoate
SYSTEMATIC NAME: (phenylmethyl) 2-[[3-(2-chloranyl-2-oxidanylidene-ethyl)phenyl]amino]but-3-enoate
MOLECULAR FORMULA: C19H18ClNO3
MOLECULAR WEIGHT: 343.80412
SMILES: C=CC(C(=O)OCC1=CC=CC=C1)NC2=CC=CC(=C2)CC(=O)Cl
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Product OPENEYE NAME: ethyl 2-[3-(allylamino)benzoyl]-3-oxo-butanoate
CAS Name: 3-oxo-2-[oxo-[3-(prop-2-enylamino)phenyl]methyl]butanoic acid ethyl ester
IUPAC NAME: ethyl 3-oxo-2-[3-(prop-2-enylamino)benzoyl]butanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-2-[3-(prop-2-enylamino)phenyl]carbonyl-butanoate
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CCOC(=O)C(C(=O)C)C(=O)C1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzonitrile
CAS Name: 2-[[(E)-pentadec-4-enyl]amino]benzonitrile
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzonitrile
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C22H34N2
MOLECULAR WEIGHT: 326.51876
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C#N
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Product OPENEYE NAME: 3-(allylamino)benzaldehyde
CAS Name: 3-(prop-2-enylamino)benzaldehyde
IUPAC NAME: 3-(prop-2-enylamino)benzaldehyde
SYSTEMATIC NAME: 3-(prop-2-enylamino)benzaldehyde
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C=CCNC1=CC=CC(=C1)C=O
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All Chemical Compounds Information

Product OPENEYE NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]propanoic acid
CAS Name: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]propanoic acid
MOLECULAR FORMULA: C27H45NO2
MOLECULAR WEIGHT: 415.6517
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)CCC(=O)O
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Product OPENEYE NAME: 1-[2-[1-(2-methylcyclopropyl)butylamino]phenyl]-2-methylsulfonyl-ethanone
CAS Name: 1-[2-[1-(2-methylcyclopropyl)butylamino]phenyl]-2-methylsulfonylethanone
IUPAC NAME: 1-[2-[1-(2-methylcyclopropyl)butylamino]phenyl]-2-methylsulfonylethanone
SYSTEMATIC NAME: 1-[2-[1-(2-methylcyclopropyl)butylamino]phenyl]-2-methylsulfonyl-ethanone
MOLECULAR FORMULA: C17H25NO3S
MOLECULAR WEIGHT: 323.4503
SMILES: CCCC(C1CC1C)NC2=CC=CC=C2C(=O)CS(=O)(=O)C
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Product OPENEYE NAME: 2-[2-[1-(2-methylcyclopropyl)butylamino]benzoyl]-3-oxo-butanoate
CAS Name: 2-[[2-[1-(2-methylcyclopropyl)butylamino]phenyl]-oxomethyl]-3-oxobutanoate
IUPAC NAME: 2-[2-[1-(2-methylcyclopropyl)butylamino]benzoyl]-3-oxobutanoate
SYSTEMATIC NAME: 2-[2-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C19H24NO4-
MOLECULAR WEIGHT: 330.39816
SMILES: CCCC(C1CC1C)NC2=CC=CC=C2C(=O)C(C(=O)C)C(=O)[O-]
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Product OPENEYE NAME: 2-[2-[1-(2-methylcyclopropyl)butylamino]benzoyl]-3-oxo-butanoic acid
CAS Name: 2-[[2-[1-(2-methylcyclopropyl)butylamino]phenyl]-oxomethyl]-3-oxobutanoic acid
IUPAC NAME: 2-[2-[1-(2-methylcyclopropyl)butylamino]benzoyl]-3-oxobutanoic acid
SYSTEMATIC NAME: 2-[2-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonyl-3-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H25NO4
MOLECULAR WEIGHT: 331.4061
SMILES: CCCC(C1CC1C)NC2=CC=CC=C2C(=O)C(C(=O)C)C(=O)O
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Product OPENEYE NAME: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanal
CAS Name: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanal
IUPAC NAME: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanal
SYSTEMATIC NAME: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanal
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CC/C=C/CCNC1=CC=CC=C1CCC=O
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Product OPENEYE NAME: 2-[2-[3-(allylamino)phenyl]acetyl]oxybutanedioic acid
CAS Name: 2-[1-oxo-2-[3-(prop-2-enylamino)phenyl]ethoxy]butanedioic acid
IUPAC NAME: 2-[2-[3-(prop-2-enylamino)phenyl]acetyl]oxybutanedioic acid
SYSTEMATIC NAME: 2-[2-[3-(prop-2-enylamino)phenyl]ethanoyloxy]butanedioic acid
MOLECULAR FORMULA: C15H17NO6
MOLECULAR WEIGHT: 307.29858
SMILES: C=CCNC1=CC=CC(=C1)CC(=O)OC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2,3-dihydroxypropyl 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
CAS Name: 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
MOLECULAR FORMULA: C26H43NO4
MOLECULAR WEIGHT: 433.62392
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(C)C(=O)OCC(CO)O
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Product OPENEYE NAME: 2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]propanedioic acid
CAS Name: 2-[[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-oxomethyl]propanedioic acid
IUPAC NAME: 2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]propanedioic acid
SYSTEMATIC NAME: 2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonylpropanedioic acid
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)C(C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-benzoyl-2-hydroxy-butanedioic acid
CAS Name: 2-benzoyl-2-hydroxybutanedioic acid
IUPAC NAME: 2-benzoyl-2-hydroxybutanedioic acid
SYSTEMATIC NAME: 2-oxidanyl-2-(phenylcarbonyl)butanedioic acid
MOLECULAR FORMULA: C11H10O6
MOLECULAR WEIGHT: 238.1935
SMILES: C1=CC=C(C=C1)C(=O)C(CC(=O)O)(C(=O)O)O
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Product OPENEYE NAME: N-benzoyl-3-[[(E)-octadec-9-enyl]amino]benzamide
CAS Name: N-benzoyl-3-[[(E)-octadec-9-enyl]amino]benzamide
IUPAC NAME: N-benzoyl-3-[[(E)-octadec-9-enyl]amino]benzamide
SYSTEMATIC NAME: 3-[[(E)-octadec-9-enyl]amino]-N-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C32H46N2O2
MOLECULAR WEIGHT: 490.71984
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C(=O)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 3-[2-(allylamino)phenyl]prop-2-ynoate
CAS Name: 3-[2-(prop-2-enylamino)phenyl]-2-propynoic acid ethyl ester
IUPAC NAME: ethyl 3-[2-(prop-2-enylamino)phenyl]prop-2-ynoate
SYSTEMATIC NAME: ethyl 3-[2-(prop-2-enylamino)phenyl]prop-2-ynoate
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CCOC(=O)C#CC1=CC=CC=C1NCC=C
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Product OPENEYE NAME: methyl 4-[3-(allylamino)phenyl]-4-oxo-butanoate
CAS Name: 4-oxo-4-[3-(prop-2-enylamino)phenyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-oxo-4-[3-(prop-2-enylamino)phenyl]butanoate
SYSTEMATIC NAME: methyl 4-oxidanylidene-4-[3-(prop-2-enylamino)phenyl]butanoate
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: COC(=O)CCC(=O)C1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 1-[2-(allylamino)phenyl]-2-(benzenesulfinyl)ethanone
CAS Name: 2-(benzenesulfinyl)-1-[2-(prop-2-enylamino)phenyl]ethanone
IUPAC NAME: 2-(benzenesulfinyl)-1-[2-(prop-2-enylamino)phenyl]ethanone
SYSTEMATIC NAME: 2-(phenylsulfinyl)-1-[2-(prop-2-enylamino)phenyl]ethanone
MOLECULAR FORMULA: C17H17NO2S
MOLECULAR WEIGHT: 299.38738
SMILES: C=CCNC1=CC=CC=C1C(=O)CS(=O)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 3-oxo-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
CAS Name: 3-oxo-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-oxo-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
MOLECULAR FORMULA: C25H39NO3
MOLECULAR WEIGHT: 401.58206
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)CC(=O)OCC
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Product OPENEYE NAME: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanenitrile
CAS Name: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanenitrile
IUPAC NAME: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanenitrile
SYSTEMATIC NAME: 3-[2-[[(E)-hex-3-enyl]amino]phenyl]propanenitrile
MOLECULAR FORMULA: C15H20N2
MOLECULAR WEIGHT: 228.3327
SMILES: CC/C=C/CCNC1=CC=CC=C1CCC#N
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Product OPENEYE NAME: 3-[2-(allylamino)phenyl]prop-2-ynoic acid
CAS Name: 3-[2-(prop-2-enylamino)phenyl]-2-propynoic acid
IUPAC NAME: 3-[2-(prop-2-enylamino)phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[2-(prop-2-enylamino)phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C=CCNC1=CC=CC=C1C#CC(=O)O
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Product OPENEYE NAME: 3-hydroxypropyl 2-[2-(allylamino)phenyl]acetate
CAS Name: 2-[2-(prop-2-enylamino)phenyl]acetic acid 3-hydroxypropyl ester
IUPAC NAME: 3-hydroxypropyl 2-[2-(prop-2-enylamino)phenyl]acetate
SYSTEMATIC NAME: 3-oxidanylpropyl 2-[2-(prop-2-enylamino)phenyl]ethanoate
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: C=CCNC1=CC=CC=C1CC(=O)OCCCO
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride hydrochloride
CAS Name: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride hydrochloride
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride hydrochloride
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride hydrochloride
MOLECULAR FORMULA: C22H35Cl2NO
MOLECULAR WEIGHT: 400.4254
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)Cl.Cl
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride
CAS Name: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoyl chloride
MOLECULAR FORMULA: C22H34ClNO
MOLECULAR WEIGHT: 363.96446
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)Cl
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Product OPENEYE NAME: (E)-3-[2-(6-methylenehexadecylamino)phenyl]prop-2-enoic acid
CAS Name: (E)-3-[2-(6-methylenehexadecylamino)phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C26H41NO2
MOLECULAR WEIGHT: 399.60924
SMILES: CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1/C=C/C(=O)O
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoic acid
CAS Name: 2-[[(E)-pentadec-4-enyl]amino]benzoic acid
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzoic acid
MOLECULAR FORMULA: C22H35NO2
MOLECULAR WEIGHT: 345.5188
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: 4-(2-acetamidophenyl)-4-oxo-butanoic acid
CAS Name: 4-(2-acetamidophenyl)-4-oxobutanoic acid
IUPAC NAME: 4-(2-acetamidophenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(2-acetamidophenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CC(=O)NC1=CC=CC=C1C(=O)CCC(=O)O
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Product OPENEYE NAME: N-(2,3-dihydroxypropyl)-3-[[(E)-pentadec-4-enyl]amino]benzamide
CAS Name: N-(2,3-dihydroxypropyl)-3-[[(E)-pentadec-4-enyl]amino]benzamide
IUPAC NAME: N-(2,3-dihydroxypropyl)-3-[[(E)-pentadec-4-enyl]amino]benzamide
SYSTEMATIC NAME: N-[2,3-bis(oxidanyl)propyl]-3-[[(E)-pentadec-4-enyl]amino]benzamide
MOLECULAR FORMULA: C25H42N2O3
MOLECULAR WEIGHT: 418.61258
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)NCC(CO)O
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All Chemical Compounds Information

Product OPENEYE NAME: 3-[[(E)-octadec-9-enyl]amino]benzonitrile
CAS Name: 3-[[(E)-octadec-9-enyl]amino]benzonitrile
IUPAC NAME: 3-[[(E)-octadec-9-enyl]amino]benzonitrile
SYSTEMATIC NAME: 3-[[(E)-octadec-9-enyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C25H40N2
MOLECULAR WEIGHT: 368.5985
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C#N
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Product OPENEYE NAME: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
CAS Name: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
IUPAC NAME: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
MOLECULAR FORMULA: C26H43NO
MOLECULAR WEIGHT: 385.62572
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C(=O)C
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Product OPENEYE NAME: (E)-3-[4-(1-methylbutylamino)phenyl]prop-2-enoate
CAS Name: (E)-3-[4-(pentan-2-ylamino)phenyl]-2-propenoate
IUPAC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoate
SYSTEMATIC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoate
MOLECULAR FORMULA: C14H18NO2-
MOLECULAR WEIGHT: 232.29822
SMILES: CCCC(C)NC1=CC=C(C=C1)/C=C/C(=O)[O-]
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Product OPENEYE NAME: (E)-3-[4-(1-methylbutylamino)phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-(pentan-2-ylamino)phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCCC(C)NC1=CC=C(C=C1)/C=C/C(=O)O
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Product OPENEYE NAME: 3-[2-(allylamino)phenyl]propanoic acid
CAS Name: 3-[2-(prop-2-enylamino)phenyl]propanoic acid
IUPAC NAME: 3-[2-(prop-2-enylamino)phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-(prop-2-enylamino)phenyl]propanoic acid
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C=CCNC1=CC=CC=C1CCC(=O)O
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Product OPENEYE NAME: methyl 3-(allylamino)benzoate
CAS Name: 3-(prop-2-enylamino)benzoic acid methyl ester
IUPAC NAME: methyl 3-(prop-2-enylamino)benzoate
SYSTEMATIC NAME: methyl 3-(prop-2-enylamino)benzoate
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: COC(=O)C1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-ynoic acid
CAS Name: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]-2-propynoic acid
IUPAC NAME: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C23H33NO2
MOLECULAR WEIGHT: 355.51362
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C#CC(=O)O
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Product OPENEYE NAME: ethanamine; ethanol
CAS Name: ethanamine; ethanol
IUPAC NAME: ethanamine; ethanol
SYSTEMATIC NAME: ethanamine; ethanol
MOLECULAR FORMULA: C6H19NO2
MOLECULAR WEIGHT: 137.22056
SMILES: CCN.CCO.CCO
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Product OPENEYE NAME: (3Z)-deca-1,3-dien-3-ol
CAS Name: (3Z)-3-deca-1,3-dienol
IUPAC NAME: (3Z)-deca-1,3-dien-3-ol
SYSTEMATIC NAME: (3Z)-deca-1,3-dien-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCCCC/C=C(/C=C)\O
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Product OPENEYE NAME: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid
CAS Name: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid
IUPAC NAME: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C26H43NO2
MOLECULAR WEIGHT: 401.62512
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC=C1CC(=O)O
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Product OPENEYE NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
CAS Name: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
IUPAC NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
MOLECULAR FORMULA: C21H33NO2
MOLECULAR WEIGHT: 331.49222
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)O
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Product OPENEYE NAME: N-(3-bromopropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
CAS Name: N-(3-bromopropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
IUPAC NAME: N-(3-bromopropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
SYSTEMATIC NAME: N-(3-bromanylpropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
MOLECULAR FORMULA: C24H39BrN2O
MOLECULAR WEIGHT: 451.48326
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)NCCCBr
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Product OPENEYE NAME: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
CAS Name: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
IUPAC NAME: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
SYSTEMATIC NAME: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
MOLECULAR FORMULA: C24H38N2O
MOLECULAR WEIGHT: 370.57132
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C2=NCCCO2
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Product OPENEYE NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] methanesulfonate
CAS Name: methanesulfonic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester
IUPAC NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] methanesulfonate
SYSTEMATIC NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] methanesulfonate
MOLECULAR FORMULA: C16H28O3S
MOLECULAR WEIGHT: 300.45672
SMILES: CC(=CCC/C(=C/CC/C(=C/COS(=O)(=O)C)/C)/C)C
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Product OPENEYE NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
CAS Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)CCC(=O)O
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Product OPENEYE NAME: (4E)-pentadeca-4,14-dienal
CAS Name: (4E)-pentadeca-4,14-dienal
IUPAC NAME: (4E)-pentadeca-4,14-dienal
SYSTEMATIC NAME: (4E)-pentadeca-4,14-dienal
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: C=CCCCCCCCC/C=C/CCC=O
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Product OPENEYE NAME: octadec-12-yn-1-ol
CAS Name: 12-octadecyn-1-ol
IUPAC NAME: octadec-12-yn-1-ol
SYSTEMATIC NAME: octadec-12-yn-1-ol
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: CCCCCC#CCCCCCCCCCCCO
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Product OPENEYE NAME: 3-[3-(allylamino)phenyl]propanoyl chloride hydrochloride
CAS Name: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride hydrochloride
IUPAC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride hydrochloride
SYSTEMATIC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride hydrochloride
MOLECULAR FORMULA: C12H15Cl2NO
MOLECULAR WEIGHT: 260.1596
SMILES: C=CCNC1=CC=CC(=C1)CCC(=O)Cl.Cl
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Product OPENEYE NAME: 3-[3-(allylamino)phenyl]propanoyl chloride
CAS Name: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride
IUPAC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride
SYSTEMATIC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride
MOLECULAR FORMULA: C12H14ClNO
MOLECULAR WEIGHT: 223.69866
SMILES: C=CCNC1=CC=CC(=C1)CCC(=O)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: methyl 2-[3-[3-(allylamino)phenyl]propanoyloxy]butanoate
CAS Name: 2-[1-oxo-3-[3-(prop-2-enylamino)phenyl]propoxy]butanoic acid methyl ester
IUPAC NAME: methyl 2-[3-[3-(prop-2-enylamino)phenyl]propanoyloxy]butanoate
SYSTEMATIC NAME: methyl 2-[3-[3-(prop-2-enylamino)phenyl]propanoyloxy]butanoate
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CCC(C(=O)OC)OC(=O)CCC1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 1-[2-(allylamino)phenyl]-2-methylsulfinyl-ethanone
CAS Name: 2-methylsulfinyl-1-[2-(prop-2-enylamino)phenyl]ethanone
IUPAC NAME: 2-methylsulfinyl-1-[2-(prop-2-enylamino)phenyl]ethanone
SYSTEMATIC NAME: 2-methylsulfinyl-1-[2-(prop-2-enylamino)phenyl]ethanone
MOLECULAR FORMULA: C12H15NO2S
MOLECULAR WEIGHT: 237.318
SMILES: CS(=O)CC(=O)C1=CC=CC=C1NCC=C
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Product OPENEYE NAME: 3-oxo-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
CAS Name: 3-oxo-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
IUPAC NAME: 3-oxo-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
MOLECULAR FORMULA: C23H35NO3
MOLECULAR WEIGHT: 373.5289
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)CC(=O)O
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Product OPENEYE NAME: (E)-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C23H35NO2
MOLECULAR WEIGHT: 357.5295
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 3-oxo-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
CAS Name: 3-oxo-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-oxo-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoate
MOLECULAR FORMULA: C25H39NO3
MOLECULAR WEIGHT: 401.58206
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)CC(=O)OCC
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Product OPENEYE NAME: 2-[[(E)-tetradec-1-enyl]-(2,2,2-trifluoroacetyl)amino]benzoyl chloride
CAS Name: 2-[[(E)-tetradec-1-enyl]-(2,2,2-trifluoro-1-oxoethyl)amino]benzoyl chloride
IUPAC NAME: 2-[[(E)-tetradec-1-enyl]-(2,2,2-trifluoroacetyl)amino]benzoyl chloride
SYSTEMATIC NAME: 2-[[(E)-tetradec-1-enyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]benzoyl chloride
MOLECULAR FORMULA: C23H31ClF3NO2
MOLECULAR WEIGHT: 445.94595
SMILES: CCCCCCCCCCCC/C=C/N(C1=CC=CC=C1C(=O)Cl)C(=O)C(F)(F)F
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Product OPENEYE NAME: 4-(2-aminophenyl)-4-oxo-butanoate
CAS Name: 4-(2-aminophenyl)-4-oxobutanoate
IUPAC NAME: 4-(2-aminophenyl)-4-oxobutanoate
SYSTEMATIC NAME: 4-(2-aminophenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H10NO3-
MOLECULAR WEIGHT: 192.1913
SMILES: C1=CC=C(C(=C1)C(=O)CCC(=O)[O-])N
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Product OPENEYE NAME: 2-[[2-[[(E)-tetradec-4-enyl]amino]benzoyl]amino]propanoic acid
CAS Name: 2-[[oxo-[2-[[(E)-tetradec-4-enyl]amino]phenyl]methyl]amino]propanoic acid
IUPAC NAME: 2-[[2-[[(E)-tetradec-4-enyl]amino]benzoyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[2-[[(E)-tetradec-4-enyl]amino]phenyl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C24H38N2O3
MOLECULAR WEIGHT: 402.57012
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)NC(C)C(=O)O
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Product OPENEYE NAME: 1-[3-(6-methylenehexadecylamino)phenyl]ethanone
CAS Name: 1-[3-(6-methylenehexadecylamino)phenyl]ethanone
IUPAC NAME: 1-[3-(6-methylidenehexadecylamino)phenyl]ethanone
SYSTEMATIC NAME: 1-[3-(6-methylidenehexadecylamino)phenyl]ethanone
MOLECULAR FORMULA: C25H41NO
MOLECULAR WEIGHT: 371.59914
SMILES: CCCCCCCCCCC(=C)CCCCCNC1=CC=CC(=C1)C(=O)C
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Product OPENEYE NAME: 2,3-dihydroxypropyl 2-[2-[[(E)-pentadec-4-enyl]amino]phenyl]acetate
CAS Name: 2-[2-[[(E)-pentadec-4-enyl]amino]phenyl]acetic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl 2-[2-[[(E)-pentadec-4-enyl]amino]phenyl]acetate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 2-[2-[[(E)-pentadec-4-enyl]amino]phenyl]ethanoate
MOLECULAR FORMULA: C26H43NO4
MOLECULAR WEIGHT: 433.62392
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1CC(=O)OCC(CO)O
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzenecarbohydroxamic acid
CAS Name: N-hydroxy-2-[[(E)-pentadec-4-enyl]amino]benzamide
IUPAC NAME: N-hydroxy-2-[[(E)-pentadec-4-enyl]amino]benzamide
SYSTEMATIC NAME: N-oxidanyl-2-[[(E)-pentadec-4-enyl]amino]benzamide
MOLECULAR FORMULA: C22H36N2O2
MOLECULAR WEIGHT: 360.53344
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)NO
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Product OPENEYE NAME: methyl 3-[3-(allylamino)phenyl]propanoate
CAS Name: 3-[3-(prop-2-enylamino)phenyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[3-(prop-2-enylamino)phenyl]propanoate
SYSTEMATIC NAME: methyl 3-[3-(prop-2-enylamino)phenyl]propanoate
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: COC(=O)CCC1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: ethyl 3-[2-(allylamino)phenyl]propanoate
CAS Name: 3-[2-(prop-2-enylamino)phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[2-(prop-2-enylamino)phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-[2-(prop-2-enylamino)phenyl]propanoate
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCOC(=O)CCC1=CC=CC=C1NCC=C
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Product OPENEYE NAME: ammonia; propylbenzene
CAS Name: ammonia; propylbenzene
IUPAC NAME: azane; propylbenzene
SYSTEMATIC NAME: azane; propylbenzene
MOLECULAR FORMULA: C9H15N
MOLECULAR WEIGHT: 137.2221
SMILES: CCCC1=CC=CC=C1.N
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Product OPENEYE NAME: 2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
CAS Name: 2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
IUPAC NAME: 2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(C)C(=O)O
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Product OPENEYE NAME: 3-[1-(2-methylcyclopropyl)butylamino]benzoic acid
CAS Name: 3-[1-(2-methylcyclopropyl)butylamino]benzoic acid
IUPAC NAME: 3-[1-(2-methylcyclopropyl)butylamino]benzoic acid
SYSTEMATIC NAME: 3-[1-(2-methylcyclopropyl)butylamino]benzoic acid
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)O
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Product OPENEYE NAME: ethyl 2-[2-(allylamino)benzoyl]-3-oxo-butanoate
CAS Name: 3-oxo-2-[oxo-[2-(prop-2-enylamino)phenyl]methyl]butanoic acid ethyl ester
IUPAC NAME: ethyl 3-oxo-2-[2-(prop-2-enylamino)benzoyl]butanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-2-[2-(prop-2-enylamino)phenyl]carbonyl-butanoate
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CCOC(=O)C(C(=O)C)C(=O)C1=CC=CC=C1NCC=C
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All Chemical Compounds Information

Product OPENEYE NAME: ethyl 3-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoate
CAS Name: 3-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoate
MOLECULAR FORMULA: C26H41NO2
MOLECULAR WEIGHT: 399.60924
SMILES: CCOC(=O)CCC1=CC(=CC=C1)NCCC/C=C/CCCCCCCCC=C
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Product OPENEYE NAME: deca-5,6-dien-4-ol
CAS Name: 4-deca-5,6-dienol
IUPAC NAME: deca-5,6-dien-4-ol
SYSTEMATIC NAME: deca-5,6-dien-4-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCC=C=CC(CCC)O
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Product OPENEYE NAME: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]-4-oxo-butanoic acid
CAS Name: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]-4-oxobutanoic acid
IUPAC NAME: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC/C=C/CCNC1=CC=CC(=C1)C(=O)CCC(=O)O
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Product OPENEYE NAME: 2,3-dihydroxypropyl 2-[2-(allylamino)phenyl]acetate
CAS Name: 2-[2-(prop-2-enylamino)phenyl]acetic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl 2-[2-(prop-2-enylamino)phenyl]acetate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 2-[2-(prop-2-enylamino)phenyl]ethanoate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: C=CCNC1=CC=CC=C1CC(=O)OCC(CO)O
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Product OPENEYE NAME: 2-[2-[1-(2,2,2-trifluoroacetyl)allylamino]phenyl]acetyl chloride
CAS Name: 2-[2-[(5,5,5-trifluoro-4-oxopent-1-en-3-yl)amino]phenyl]acetyl chloride
IUPAC NAME: 2-[2-[(5,5,5-trifluoro-4-oxopent-1-en-3-yl)amino]phenyl]acetyl chloride
SYSTEMATIC NAME: 2-[2-[[5,5,5-tris(fluoranyl)-4-oxidanylidene-pent-1-en-3-yl]amino]phenyl]ethanoyl chloride
MOLECULAR FORMULA: C13H11ClF3NO2
MOLECULAR WEIGHT: 305.68015
SMILES: C=CC(C(=O)C(F)(F)F)NC1=CC=CC=C1CC(=O)Cl
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Product OPENEYE NAME: ethyl (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoate
CAS Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoate
MOLECULAR FORMULA: C29H47NO2
MOLECULAR WEIGHT: 441.68898
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)/C=C/C(=O)OCC
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Product OPENEYE NAME: 2,2,2-trifluoro-N-[2-(hydroxycarbamoyl)phenyl]-N-[(E)-pentadec-4-enyl]acetamide
CAS Name: N-hydroxy-2-[[(E)-pentadec-4-enyl]-(2,2,2-trifluoro-1-oxoethyl)amino]benzamide
IUPAC NAME: N-hydroxy-2-[[(E)-pentadec-4-enyl]-(2,2,2-trifluoroacetyl)amino]benzamide
SYSTEMATIC NAME: N-oxidanyl-2-[[(E)-pentadec-4-enyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]benzamide
MOLECULAR FORMULA: C24H35F3N2O3
MOLECULAR WEIGHT: 456.54151
SMILES: CCCCCCCCCC/C=C/CCCN(C1=CC=CC=C1C(=O)NO)C(=O)C(F)(F)F
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Product OPENEYE NAME: 1-(2,2-dimethylpropyl)cyclopropene
CAS Name: 1-(2,2-dimethylpropyl)cyclopropene
IUPAC NAME: 1-(2,2-dimethylpropyl)cyclopropene
SYSTEMATIC NAME: 1-(2,2-dimethylpropyl)cyclopropene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC(C)(C)CC1=CC1
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Product OPENEYE NAME: (E)-11-bromoundec-5-ene
CAS Name: (E)-11-bromo-5-undecene
IUPAC NAME: (E)-11-bromoundec-5-ene
SYSTEMATIC NAME: (E)-11-bromanylundec-5-ene
MOLECULAR FORMULA: C11H21Br
MOLECULAR WEIGHT: 233.18844
SMILES: CCCC/C=C/CCCCCBr
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Product OPENEYE NAME: (E)-3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C24H37NO2
MOLECULAR WEIGHT: 371.55608
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1/C=C/C(=O)O
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Product OPENEYE NAME: ethyl (E)-3-[2-(6-methylenehexadecylamino)phenyl]prop-2-enoate
CAS Name: (E)-3-[2-(6-methylenehexadecylamino)phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-enoate
MOLECULAR FORMULA: C28H45NO2
MOLECULAR WEIGHT: 427.6624
SMILES: CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1/C=C/C(=O)OCC
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Product OPENEYE NAME: methyl 2-[3-(allylamino)phenyl]acetate
CAS Name: 2-[3-(prop-2-enylamino)phenyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[3-(prop-2-enylamino)phenyl]acetate
SYSTEMATIC NAME: methyl 2-[3-(prop-2-enylamino)phenyl]ethanoate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: COC(=O)CC1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 2-methyldec-3-yne
CAS Name: 2-methyl-3-decyne
IUPAC NAME: 2-methyldec-3-yne
SYSTEMATIC NAME: 2-methyldec-3-yne
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CCCCCCC#CC(C)C
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All Chemical Compounds Information

Product OPENEYE NAME: 2-methylnon-3-yne
CAS Name: 2-methyl-3-nonyne
IUPAC NAME: 2-methylnon-3-yne
SYSTEMATIC NAME: 2-methylnon-3-yne
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CCCCCC#CC(C)C
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Product OPENEYE NAME: 3-[2-(6-methylenehexadecylamino)phenyl]prop-2-ynoic acid
CAS Name: 3-[2-(6-methylenehexadecylamino)phenyl]-2-propynoic acid
IUPAC NAME: 3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C26H39NO2
MOLECULAR WEIGHT: 397.59336
SMILES: CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1C#CC(=O)O
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Product OPENEYE NAME: methyl 4-[2-(allylamino)phenyl]-4-oxo-butanoate
CAS Name: 4-oxo-4-[2-(prop-2-enylamino)phenyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-oxo-4-[2-(prop-2-enylamino)phenyl]butanoate
SYSTEMATIC NAME: methyl 4-oxidanylidene-4-[2-(prop-2-enylamino)phenyl]butanoate
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: COC(=O)CCC(=O)C1=CC=CC=C1NCC=C
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Product OPENEYE NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoyl chloride
CAS Name: 3-[[(E)-tetradec-4-enyl]amino]benzoyl chloride
IUPAC NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoyl chloride
SYSTEMATIC NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoyl chloride
MOLECULAR FORMULA: C21H32ClNO
MOLECULAR WEIGHT: 349.93788
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)Cl
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Product OPENEYE NAME: tert-butyl N-[3-(1H-imidazole-2-carbonyl)phenyl]-N-[(E)-pentadec-4-enyl]carbamate
CAS Name: N-[3-[1H-imidazol-2-yl(oxo)methyl]phenyl]-N-[(E)-pentadec-4-enyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[3-(1H-imidazole-2-carbonyl)phenyl]-N-[(E)-pentadec-4-enyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-(1H-imidazol-2-ylcarbonyl)phenyl]-N-[(E)-pentadec-4-enyl]carbamate
MOLECULAR FORMULA: C30H45N3O3
MOLECULAR WEIGHT: 495.6966
SMILES: CCCCCCCCCC/C=C/CCCN(C1=CC=CC(=C1)C(=O)C2=NC=CN2)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 3-[[(E)-octadec-9-enyl]amino]benzaldehyde
CAS Name: 3-[[(E)-octadec-9-enyl]amino]benzaldehyde
IUPAC NAME: 3-[[(E)-octadec-9-enyl]amino]benzaldehyde
SYSTEMATIC NAME: 3-[[(E)-octadec-9-enyl]amino]benzaldehyde
MOLECULAR FORMULA: C25H41NO
MOLECULAR WEIGHT: 371.59914
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C=O
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]-(2,2,2-trifluoroacetyl)amino]benzoyl chloride
CAS Name: 2-[[(E)-pentadec-4-enyl]-(2,2,2-trifluoro-1-oxoethyl)amino]benzoyl chloride
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]-(2,2,2-trifluoroacetyl)amino]benzoyl chloride
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]benzoyl chloride
MOLECULAR FORMULA: C24H33ClF3NO2
MOLECULAR WEIGHT: 459.97253
SMILES: CCCCCCCCCC/C=C/CCCN(C1=CC=CC=C1C(=O)Cl)C(=O)C(F)(F)F
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Product OPENEYE NAME: 3-pyridyl 2-[[(E)-tetradec-4-enyl]amino]benzoate
CAS Name: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid 3-pyridinyl ester
IUPAC NAME: pyridin-3-yl 2-[[(E)-tetradec-4-enyl]amino]benzoate
SYSTEMATIC NAME: pyridin-3-yl 2-[[(E)-tetradec-4-enyl]amino]benzoate
MOLECULAR FORMULA: C26H36N2O2
MOLECULAR WEIGHT: 408.57624
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)OC2=CN=CC=C2
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Product OPENEYE NAME: 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
CAS Name: 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
IUPAC NAME: 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
MOLECULAR FORMULA: C23H37NO2
MOLECULAR WEIGHT: 359.54538
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(C)C(=O)O
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Product OPENEYE NAME: 2-[3-[[(E)-octadec-9-enyl]amino]phenyl]butanoic acid
CAS Name: 2-[3-[[(E)-octadec-9-enyl]amino]phenyl]butanoic acid
IUPAC NAME: 2-[3-[[(E)-octadec-9-enyl]amino]phenyl]butanoic acid
SYSTEMATIC NAME: 2-[3-[[(E)-octadec-9-enyl]amino]phenyl]butanoic acid
MOLECULAR FORMULA: C28H47NO2
MOLECULAR WEIGHT: 429.67828
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C(CC)C(=O)O
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Product OPENEYE NAME: diethyl 2-[2-[[(E)-tetradec-4-enyl]amino]benzoyl]propanedioate
CAS Name: 2-[oxo-[2-[[(E)-tetradec-4-enyl]amino]phenyl]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-[[(E)-tetradec-4-enyl]amino]benzoyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-[[(E)-tetradec-4-enyl]amino]phenyl]carbonylpropanedioate
MOLECULAR FORMULA: C28H43NO5
MOLECULAR WEIGHT: 473.64472
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)C(C(=O)OCC)C(=O)OCC
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Product OPENEYE NAME: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)/C=C/C(=O)O
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Product OPENEYE NAME: (4E)-N-ethylpentadeca-4,14-dien-1-amine
CAS Name: (4E)-N-ethyl-1-pentadeca-4,14-dienamine
IUPAC NAME: (4E)-N-ethylpentadeca-4,14-dien-1-amine
SYSTEMATIC NAME: (4E)-N-ethylpentadeca-4,14-dien-1-amine
MOLECULAR FORMULA: C17H33N
MOLECULAR WEIGHT: 251.45062
SMILES: CCNCCC/C=C/CCCCCCCCC=C
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Product OPENEYE NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetyl chloride
CAS Name: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetyl chloride
IUPAC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetyl chloride
SYSTEMATIC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanoyl chloride
MOLECULAR FORMULA: C22H34ClNO
MOLECULAR WEIGHT: 363.96446
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)CC(=O)Cl
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Product OPENEYE NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]butanoic acid
CAS Name: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]butanoic acid
IUPAC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]butanoic acid
SYSTEMATIC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]butanoic acid
MOLECULAR FORMULA: C24H39NO2
MOLECULAR WEIGHT: 373.57196
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(CC)C(=O)O
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Product OPENEYE NAME: N-(benzenesulfonyl)-2-[[(E)-pentadec-4-enyl]amino]benzamide
CAS Name: N-(benzenesulfonyl)-2-[[(E)-pentadec-4-enyl]amino]benzamide
IUPAC NAME: N-(benzenesulfonyl)-2-[[(E)-pentadec-4-enyl]amino]benzamide
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]-N-(phenylsulfonyl)benzamide
MOLECULAR FORMULA: C28H40N2O3S
MOLECULAR WEIGHT: 484.6938
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[[2-[[(E)-tetradec-4-enyl]amino]benzoyl]amino]ethanesulfonic acid
CAS Name: 2-[[oxo-[2-[[(E)-tetradec-4-enyl]amino]phenyl]methyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[[2-[[(E)-tetradec-4-enyl]amino]benzoyl]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[2-[[(E)-tetradec-4-enyl]amino]phenyl]carbonylamino]ethanesulfonic acid
MOLECULAR FORMULA: C23H38N2O4S
MOLECULAR WEIGHT: 438.62382
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)NCCS(=O)(=O)O
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Product OPENEYE NAME: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-pyrrolidin-1-yl-methanone
CAS Name: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-(1-pyrrolidinyl)methanone
IUPAC NAME: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: [3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C26H40N2O
MOLECULAR WEIGHT: 396.6086
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)N2CCCC2
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Product OPENEYE NAME: octadec-10-yn-1-ol
CAS Name: 10-octadecyn-1-ol
IUPAC NAME: octadec-10-yn-1-ol
SYSTEMATIC NAME: octadec-10-yn-1-ol
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: CCCCCCCC#CCCCCCCCCCO
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Product OPENEYE NAME: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]propanoic acid
CAS Name: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]propanoic acid
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CCCCC1CC1CNC2=CC=CC(=C2)CCC(=O)O
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Product OPENEYE NAME: O1-tert-butyl O3-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]propanedioate
CAS Name: 2-[oxo-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]methyl]propanedioic acid O3-tert-butyl ester O1-ethyl ester
IUPAC NAME: 3-O-tert-butyl 1-O-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]propanedioate
SYSTEMATIC NAME: O3-tert-butyl O1-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]carbonylpropanedioate
MOLECULAR FORMULA: C31H47NO5
MOLECULAR WEIGHT: 513.70858
SMILES: CCOC(=O)C(C(=O)C1=CC(=CC=C1)NCCC/C=C/CCCCCCCCC=C)C(=O)OC(C)(C)C
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Product OPENEYE NAME: (4E,8E)-6-methyldodeca-1,4,8,11-tetraene
CAS Name: (4E,8E)-6-methyldodeca-1,4,8,11-tetraene
IUPAC NAME: (4E,8E)-6-methyldodeca-1,4,8,11-tetraene
SYSTEMATIC NAME: (4E,8E)-6-methyldodeca-1,4,8,11-tetraene
MOLECULAR FORMULA: C13H20
MOLECULAR WEIGHT: 176.2979
SMILES: CC(C/C=C/CC=C)/C=C/CC=C
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Product OPENEYE NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]prop-2-ynoic acid
CAS Name: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]-2-propynoic acid
IUPAC NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C24H33NO2
MOLECULAR WEIGHT: 367.52432
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C#CC(=O)O
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Product OPENEYE NAME: 1-butyl-2-(iodomethyl)cyclopropane
CAS Name: 1-butyl-2-(iodomethyl)cyclopropane
IUPAC NAME: 1-butyl-2-(iodomethyl)cyclopropane
SYSTEMATIC NAME: 1-butyl-2-(iodanylmethyl)cyclopropane
MOLECULAR FORMULA: C8H15I
MOLECULAR WEIGHT: 238.10917
SMILES: CCCCC1CC1CI
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