Thursday, August 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: diethyl 2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]propanedioate
CAS Name: 2-[[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-oxomethyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[3-[1-(2-methylcyclopropyl)butylamino]benzoyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]carbonylpropanedioate
MOLECULAR FORMULA: C22H31NO5
MOLECULAR WEIGHT: 389.48524
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)C(C(=O)OCC)C(=O)OCC
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Product OPENEYE NAME: 3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]prop-2-ynoic acid
CAS Name: 3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]-2-propynoic acid
IUPAC NAME: 3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[2-[[(E)-pentadec-4-enyl]amino]phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C24H35NO2
MOLECULAR WEIGHT: 369.5402
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C#CC(=O)O
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Product OPENEYE NAME: 2-[[(4E)-pentadeca-4,14-dienyl]amino]benzonitrile
CAS Name: 2-[[(4E)-pentadeca-4,14-dienyl]amino]benzonitrile
IUPAC NAME: 2-[[(4E)-pentadeca-4,14-dienyl]amino]benzonitrile
SYSTEMATIC NAME: 2-[[(4E)-pentadeca-4,14-dienyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C22H32N2
MOLECULAR WEIGHT: 324.50288
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C#N
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Product OPENEYE NAME: tetrahydropyran-2-yl 3-[[(E)-tetradec-4-enyl]amino]benzoate
CAS Name: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid 2-oxanyl ester
IUPAC NAME: oxan-2-yl 3-[[(E)-tetradec-4-enyl]amino]benzoate
SYSTEMATIC NAME: oxan-2-yl 3-[[(E)-tetradec-4-enyl]amino]benzoate
MOLECULAR FORMULA: C26H41NO3
MOLECULAR WEIGHT: 415.60864
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)OC2CCCCO2
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Product OPENEYE NAME: 3-[(2-butylcyclopropyl)methylamino]benzonitrile
CAS Name: 3-[(2-butylcyclopropyl)methylamino]benzonitrile
IUPAC NAME: 3-[(2-butylcyclopropyl)methylamino]benzonitrile
SYSTEMATIC NAME: 3-[(2-butylcyclopropyl)methylamino]benzenecarbonitrile
MOLECULAR FORMULA: C15H20N2
MOLECULAR WEIGHT: 228.3327
SMILES: CCCCC1CC1CNC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: 2-[(2-butylcyclopropyl)methylamino]-1-phenyl-ethanone
CAS Name: 2-[(2-butylcyclopropyl)methylamino]-1-phenylethanone
IUPAC NAME: 2-[(2-butylcyclopropyl)methylamino]-1-phenylethanone
SYSTEMATIC NAME: 2-[(2-butylcyclopropyl)methylamino]-1-phenyl-ethanone
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCCCC1CC1CNCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxo-propanoic acid
CAS Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxopropanoic acid
IUPAC NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)CC(=O)O
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Product OPENEYE NAME: methyl 4-oxo-4-[3-(undec-10-enylamino)phenyl]butanoate
CAS Name: 4-oxo-4-[3-(undec-10-enylamino)phenyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-oxo-4-[3-(undec-10-enylamino)phenyl]butanoate
SYSTEMATIC NAME: methyl 4-oxidanylidene-4-[3-(undec-10-enylamino)phenyl]butanoate
MOLECULAR FORMULA: C22H33NO3
MOLECULAR WEIGHT: 359.50232
SMILES: COC(=O)CCC(=O)C1=CC(=CC=C1)NCCCCCCCCCC=C
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Product OPENEYE NAME: ethyl 3-hydroxy-3-[2-(undec-10-enylamino)phenyl]propanoate
CAS Name: 3-hydroxy-3-[2-(undec-10-enylamino)phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-hydroxy-3-[2-(undec-10-enylamino)phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-oxidanyl-3-[2-(undec-10-enylamino)phenyl]propanoate
MOLECULAR FORMULA: C22H35NO3
MOLECULAR WEIGHT: 361.5182
SMILES: CCOC(=O)CC(C1=CC=CC=C1NCCCCCCCCCC=C)O
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Product OPENEYE NAME: (4-chlorophenyl) 2-[[(E)-tetradec-4-enyl]amino]benzoate
CAS Name: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 2-[[(E)-tetradec-4-enyl]amino]benzoate
SYSTEMATIC NAME: (4-chlorophenyl) 2-[[(E)-tetradec-4-enyl]amino]benzoate
MOLECULAR FORMULA: C27H36ClNO2
MOLECULAR WEIGHT: 442.03324
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: ethyl 2-[2-[2-(allylamino)phenyl]acetyl]oxypropanoate
CAS Name: 2-[1-oxo-2-[2-(prop-2-enylamino)phenyl]ethoxy]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[2-(prop-2-enylamino)phenyl]acetyl]oxypropanoate
SYSTEMATIC NAME: ethyl 2-[2-[2-(prop-2-enylamino)phenyl]ethanoyloxy]propanoate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CCOC(=O)C(C)OC(=O)CC1=CC=CC=C1NCC=C
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Product OPENEYE NAME: 2-amino-2-methyl-3-oxo-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
CAS Name: 2-amino-2-methyl-3-oxo-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
IUPAC NAME: 2-amino-2-methyl-3-oxo-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-2-methyl-3-oxidanylidene-3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]propanoic acid
MOLECULAR FORMULA: C24H38N2O3
MOLECULAR WEIGHT: 402.57012
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)C(C)(C(=O)O)N
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Product OPENEYE NAME: benzyl N-(3-chlorocarbonylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
CAS Name: N-(3-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-(3-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(3-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
MOLECULAR FORMULA: C30H38ClNO3
MOLECULAR WEIGHT: 496.08062
SMILES: C=CCCCCCCCC/C=C/CCCN(C1=CC=CC(=C1)C(=O)Cl)C(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: (3E)-octa-1,3-dien-2-ol
CAS Name: (3E)-2-octa-1,3-dienol
IUPAC NAME: (3E)-octa-1,3-dien-2-ol
SYSTEMATIC NAME: (3E)-octa-1,3-dien-2-ol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCCC/C=C/C(=C)O
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Product OPENEYE NAME: 3-[3-[[(E)-pentadec-4-enyl]amino]benzoyl]thiazolidine-4-carboxylic acid
CAS Name: 3-[oxo-[3-[[(E)-pentadec-4-enyl]amino]phenyl]methyl]-4-thiazolidinecarboxylic acid
IUPAC NAME: 3-[3-[[(E)-pentadec-4-enyl]amino]benzoyl]-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 3-[3-[[(E)-pentadec-4-enyl]amino]phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C26H40N2O3S
MOLECULAR WEIGHT: 460.6724
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)N2CSCC2C(=O)O
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Product OPENEYE NAME: tert-butyl N-allyl-N-[2-(2-imidazol-1-yl-2-oxo-ethyl)phenyl]carbamate
CAS Name: N-[2-[2-(1-imidazolyl)-2-oxoethyl]phenyl]-N-prop-2-enylcarbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[2-(2-imidazol-1-yl-2-oxoethyl)phenyl]-N-prop-2-enylcarbamate
SYSTEMATIC NAME: tert-butyl N-[2-(2-imidazol-1-yl-2-oxidanylidene-ethyl)phenyl]-N-prop-2-enyl-carbamate
MOLECULAR FORMULA: C19H23N3O3
MOLECULAR WEIGHT: 341.40422
SMILES: CC(C)(C)OC(=O)N(CC=C)C1=CC=CC=C1CC(=O)N2C=CN=C2
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Product OPENEYE NAME: N-benzoyl-3-[[(E)-octadec-9-enyl]-(2,2,2-trifluoroacetyl)amino]benzamide
CAS Name: N-benzoyl-3-[[(E)-octadec-9-enyl]-(2,2,2-trifluoro-1-oxoethyl)amino]benzamide
IUPAC NAME: N-benzoyl-3-[[(E)-octadec-9-enyl]-(2,2,2-trifluoroacetyl)amino]benzamide
SYSTEMATIC NAME: 3-[[(E)-octadec-9-enyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]-N-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C34H45F3N2O3
MOLECULAR WEIGHT: 586.72791
SMILES: CCCCCCCC/C=C/CCCCCCCCN(C1=CC=CC(=C1)C(=O)NC(=O)C2=CC=CC=C2)C(=O)C(F)(F)F
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Product OPENEYE NAME: N-(3-bromopropyl)-3-[[(E)-tetradec-4-enyl]amino]benzamide
CAS Name: N-(3-bromopropyl)-3-[[(E)-tetradec-4-enyl]amino]benzamide
IUPAC NAME: N-(3-bromopropyl)-3-[[(E)-tetradec-4-enyl]amino]benzamide
SYSTEMATIC NAME: N-(3-bromanylpropyl)-3-[[(E)-tetradec-4-enyl]amino]benzamide
MOLECULAR FORMULA: C24H39BrN2O
MOLECULAR WEIGHT: 451.48326
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)NCCCBr
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Product OPENEYE NAME: (E)-dodec-3-en-1-yn-5-ol
CAS Name: (E)-5-dodec-3-en-1-ynol
IUPAC NAME: (E)-dodec-3-en-1-yn-5-ol
SYSTEMATIC NAME: (E)-dodec-3-en-1-yn-5-ol
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CCCCCCCC(/C=C/C#C)O
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Product OPENEYE NAME: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]butanoic acid
CAS Name: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]butanoic acid
IUPAC NAME: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]butanoic acid
SYSTEMATIC NAME: 4-[3-[[(E)-hex-3-enyl]amino]phenyl]butanoic acid
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CC/C=C/CCNC1=CC=CC(=C1)CCCC(=O)O
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Product OPENEYE NAME: 2-ethoxyethyl 2-[3-(allylamino)phenyl]acetate
CAS Name: 2-[3-(prop-2-enylamino)phenyl]acetic acid 2-ethoxyethyl ester
IUPAC NAME: 2-ethoxyethyl 2-[3-(prop-2-enylamino)phenyl]acetate
SYSTEMATIC NAME: 2-ethoxyethyl 2-[3-(prop-2-enylamino)phenyl]ethanoate
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: CCOCCOC(=O)CC1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: undec-1-en-5-yn-4-ol
CAS Name: 4-undec-1-en-5-ynol
IUPAC NAME: undec-1-en-5-yn-4-ol
SYSTEMATIC NAME: undec-1-en-5-yn-4-ol
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CCCCCC#CC(CC=C)O
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