Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N,N-dimethyl-4-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CAS Name: N,N-dimethyl-4-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide
IUPAC NAME: N,N-dimethyl-4-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SYSTEMATIC NAME: N,N-dimethyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzamide
MOLECULAR FORMULA: C22H22N4O2S
MOLECULAR WEIGHT: 406.50068
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C
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Product OPENEYE NAME: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22ClNO4
MOLECULAR WEIGHT: 375.84598
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2R)-N-(ethylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetamide
CAS Name: (2R)-N-(ethylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetamide
IUPAC NAME: (2R)-N-(ethylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: (2R)-N-(ethylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C22H22N4O2S
MOLECULAR WEIGHT: 406.50068
SMILES: CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2S)-N-(ethylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetamide
CAS Name: (2S)-N-(ethylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetamide
IUPAC NAME: (2S)-N-(ethylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: (2S)-N-(ethylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C22H22N4O2S
MOLECULAR WEIGHT: 406.50068
SMILES: CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22ClNO4
MOLECULAR WEIGHT: 375.84598
SMILES: C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [(1S)-2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide
MOLECULAR FORMULA: C23H24N4O2S
MOLECULAR WEIGHT: 420.52726
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(4-bromoanilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-bromoanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20BrNO4
MOLECULAR WEIGHT: 406.2704
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C18H19NO5S
MOLECULAR WEIGHT: 361.41216
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC(=O)C2=CC=CS2
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Product OPENEYE NAME: [(1S)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide
CAS Name: N-[[[(2R)-butan-2-yl]amino]-oxomethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H22N4O2S
MOLECULAR WEIGHT: 358.45788
SMILES: CC[C@@H](C)NC(=O)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)N3C(=CC=CC3=N2)C
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Product OPENEYE NAME: [(1R)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide
CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H22N4O2S
MOLECULAR WEIGHT: 358.45788
SMILES: CC[C@H](C)NC(=O)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21F2NO4S
MOLECULAR WEIGHT: 409.446846
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F
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Product OPENEYE NAME: [(1S)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-(4-fluorophenyl)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N-(4-fluorophenyl)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N-(4-fluorophenyl)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide
MOLECULAR FORMULA: C21H19FN4O2S
MOLECULAR WEIGHT: 410.464563
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [2-(3-acetylanilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-acetylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)C
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Product OPENEYE NAME: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22ClNO4
MOLECULAR WEIGHT: 375.84598
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)Cl
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