Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H23NO4
MOLECULAR WEIGHT: 401.45442
SMILES: CC1=C(C(=CC=C1)C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H23NO4
MOLECULAR WEIGHT: 401.45442
SMILES: CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-methoxycarbonylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H22N2O6
MOLECULAR WEIGHT: 410.41988
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)OC
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Product OPENEYE NAME: [2-(4-acetylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-acetylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-acetylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H23NO4
MOLECULAR WEIGHT: 401.45442
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-ethoxyanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-ethoxyanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H23NO4
MOLECULAR WEIGHT: 401.45442
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-cyanoanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-cyanoanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H21NO5
MOLECULAR WEIGHT: 415.43794
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(2-fluoroanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-fluoroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-fluoroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H19FN2O4
MOLECULAR WEIGHT: 370.374263
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H21NO5
MOLECULAR WEIGHT: 415.43794
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(3-nitroanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-nitroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H19N3O6
MOLECULAR WEIGHT: 397.38136
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H16N2O4S
MOLECULAR WEIGHT: 404.43844
SMILES: C[C@@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-(2-thienyl)ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester
IUPAC NAME: (2-oxo-2-thiophen-2-ylethyl) 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H17NO4S
MOLECULAR WEIGHT: 343.39688
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC=CS3
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Product OPENEYE NAME: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H16N2O4S
MOLECULAR WEIGHT: 404.43844
SMILES: C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H19NO4S
MOLECULAR WEIGHT: 393.45556
SMILES: C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H19F2NO5
MOLECULAR WEIGHT: 403.376066
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC=C(C=C3)OC(F)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H19NO4S
MOLECULAR WEIGHT: 393.45556
SMILES: C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(benzofuran-2-yl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H19NO5
MOLECULAR WEIGHT: 377.38996
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3
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Product OPENEYE NAME: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H18N2O5
MOLECULAR WEIGHT: 378.37802
SMILES: CC1=CC(=NO1)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[benzyl(ethyl)amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H26N2O4
MOLECULAR WEIGHT: 394.46354
SMILES: CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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