Wednesday, July 31, 2013

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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