Thursday, April 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(1H-indol-3-yl)propanoate
CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H21NO3
MOLECULAR WEIGHT: 335.39634
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)CCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(1H-indol-3-yl)propanoate
CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H21NO3
MOLECULAR WEIGHT: 335.39634
SMILES: CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate
CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C20H18ClNO3
MOLECULAR WEIGHT: 355.81482
SMILES: C[C@H](C(=O)C1=CC=C(C=C1)Cl)OC(=O)CCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 3-(1H-indol-3-yl)propanoate
CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-phenylpropan-2-yl] 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C20H19NO3
MOLECULAR WEIGHT: 321.36976
SMILES: C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)CCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] 3-(1H-indol-3-yl)propanoate
CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2R)-1-oxo-1-phenylpropan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-phenylpropan-2-yl] 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C20H19NO3
MOLECULAR WEIGHT: 321.36976
SMILES: C[C@H](C(=O)C1=CC=CC=C1)OC(=O)CCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: phenacyl 6-nitro-2-oxo-chromene-3-carboxylate
CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid phenacyl ester
IUPAC NAME: phenacyl 6-nitro-2-oxochromene-3-carboxylate
SYSTEMATIC NAME: phenacyl 6-nitro-2-oxidanylidene-chromene-3-carboxylate
MOLECULAR FORMULA: C18H11NO7
MOLECULAR WEIGHT: 353.28244
SMILES: C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
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Product OPENEYE NAME: N-cyclopentyl-6-methoxy-2-oxo-chromene-3-carboxamide
CAS Name: N-cyclopentyl-6-methoxy-2-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-cyclopentyl-6-methoxy-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-cyclopentyl-6-methoxy-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3CCCC3
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Product OPENEYE NAME: N-cyclopentyl-6-nitro-2-oxo-chromene-3-carboxamide
CAS Name: N-cyclopentyl-6-nitro-2-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-cyclopentyl-6-nitro-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-cyclopentyl-6-nitro-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C15H14N2O5
MOLECULAR WEIGHT: 302.28206
SMILES: C1CCC(C1)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
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Product OPENEYE NAME: 6,8-dichloro-2-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]chromene-3-carboxamide
CAS Name: 6,8-dichloro-2-oxo-N-[[(2R)-2-oxolanyl]methyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 6,8-dichloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SYSTEMATIC NAME: 6,8-bis(chloranyl)-2-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
MOLECULAR FORMULA: C15H13Cl2NO4
MOLECULAR WEIGHT: 342.17402
SMILES: C1C[C@@H](OC1)CNC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl
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Product OPENEYE NAME: 6,8-dichloro-2-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]chromene-3-carboxamide
CAS Name: 6,8-dichloro-2-oxo-N-[[(2S)-2-oxolanyl]methyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 6,8-dichloro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SYSTEMATIC NAME: 6,8-bis(chloranyl)-2-oxidanylidene-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
MOLECULAR FORMULA: C15H13Cl2NO4
MOLECULAR WEIGHT: 342.17402
SMILES: C1C[C@H](OC1)CNC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl
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Product OPENEYE NAME: 8-methoxy-3-(pyrrolidine-1-carbonyl)chromen-2-one
CAS Name: 8-methoxy-3-[oxo(1-pyrrolidinyl)methyl]-1-benzopyran-2-one
IUPAC NAME: 8-methoxy-3-(pyrrolidine-1-carbonyl)chromen-2-one
SYSTEMATIC NAME: 8-methoxy-3-pyrrolidin-1-ylcarbonyl-chromen-2-one
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCCC3
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Product OPENEYE NAME: 6-methoxy-3-(pyrrolidine-1-carbonyl)chromen-2-one
CAS Name: 6-methoxy-3-[oxo(1-pyrrolidinyl)methyl]-1-benzopyran-2-one
IUPAC NAME: 6-methoxy-3-(pyrrolidine-1-carbonyl)chromen-2-one
SYSTEMATIC NAME: 6-methoxy-3-pyrrolidin-1-ylcarbonyl-chromen-2-one
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CCCC3
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Product OPENEYE NAME: (4-acetamidophenyl) 6-methoxy-2-oxo-chromene-3-carboxylate
CAS Name: 6-methoxy-2-oxo-1-benzopyran-3-carboxylic acid (4-acetamidophenyl) ester
IUPAC NAME: (4-acetamidophenyl) 6-methoxy-2-oxochromene-3-carboxylate
SYSTEMATIC NAME: (4-acetamidophenyl) 6-methoxy-2-oxidanylidene-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15NO6
MOLECULAR WEIGHT: 353.3255
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O
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Product OPENEYE NAME: (4-acetamidophenyl) 6-nitro-2-oxo-chromene-3-carboxylate
CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid (4-acetamidophenyl) ester
IUPAC NAME: (4-acetamidophenyl) 6-nitro-2-oxochromene-3-carboxylate
SYSTEMATIC NAME: (4-acetamidophenyl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate
MOLECULAR FORMULA: C18H12N2O7
MOLECULAR WEIGHT: 368.29708
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
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Product OPENEYE NAME: 8-quinolyl 2-oxochromene-3-carboxylate
CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 8-quinolinyl ester
IUPAC NAME: quinolin-8-yl 2-oxochromene-3-carboxylate
SYSTEMATIC NAME: quinolin-8-yl 2-oxidanylidenechromene-3-carboxylate
MOLECULAR FORMULA: C19H11NO4
MOLECULAR WEIGHT: 317.29494
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=CC=CC4=C3N=CC=C4
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