Monday, April 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: cyclohexyl (4R,7S)-2-methyl-5-oxo-7-phenyl-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester
IUPAC NAME: cyclohexyl (4R,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: cyclohexyl (4R,7S)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C28H30N2O3
MOLECULAR WEIGHT: 442.5494
SMILES: CC1=C([C@@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC=NC=C4)C(=O)OC5CCCCC5
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Product OPENEYE NAME: [4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-phenyl] acetate
CAS Name: acetic acid [4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C21H22N2O5
MOLECULAR WEIGHT: 382.40978
SMILES: CC(=O)OC1=C(C=C(C=C1)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC
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Product OPENEYE NAME: [4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-phenyl] acetate
CAS Name: acetic acid [4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C21H22N2O5
MOLECULAR WEIGHT: 382.40978
SMILES: CC(=O)OC1=C(C=C(C=C1)[C@@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC
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Product OPENEYE NAME: ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CAS Name: 5-[anilino(oxo)methyl]-2-[(2-chloro-1-oxoethyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-chloranylethanoylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C17H17ClN2O4S
MOLECULAR WEIGHT: 380.84588
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CCl
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Product OPENEYE NAME: [1-methyl-1-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]ethyl] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester
IUPAC NAME: 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2,4-dichlorobenzoate
SYSTEMATIC NAME: 2-[(2R)-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C21H16Cl2O5
MOLECULAR WEIGHT: 419.25474
SMILES: CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: [1-methyl-1-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]ethyl] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester
IUPAC NAME: 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2,4-dichlorobenzoate
SYSTEMATIC NAME: 2-[(2S)-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C21H16Cl2O5
MOLECULAR WEIGHT: 419.25474
SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N4O4
MOLECULAR WEIGHT: 396.43966
SMILES: CC(=O)N1CCC2=CC(=C(C3=C2[C@@H]1CC34C=CC(=NNC(=O)N)C=C4)OC)OC
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NO4
MOLECULAR WEIGHT: 355.4275
SMILES: CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
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Product OPENEYE NAME: (E)-3-[(3S,4R)-3,5-dihydroxy-2,2-dimethyl-4-morpholino-chroman-6-yl]-1-morpholino-prop-2-en-1-one
CAS Name: (E)-3-[(3S,4R)-3,5-dihydroxy-2,2-dimethyl-4-(4-morpholinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-(4-morpholinyl)-2-propen-1-one
IUPAC NAME: (E)-3-[(3S,4R)-3,5-dihydroxy-2,2-dimethyl-4-morpholin-4-yl-3,4-dihydrochromen-6-yl]-1-morpholin-4-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[(3S,4R)-2,2-dimethyl-4-morpholin-4-yl-3,5-bis(oxidanyl)-3,4-dihydrochromen-6-yl]-1-morpholin-4-yl-prop-2-en-1-one
MOLECULAR FORMULA: C22H30N2O6
MOLECULAR WEIGHT: 418.4834
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2O)/C=C/C(=O)N3CCOCC3)N4CCOCC4)O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C25H31BrN2O6
MOLECULAR WEIGHT: 535.42744
SMILES: CC[C@]12C=CCN3[C@H]1[C@@]4(CC3)[C@@H]([C@@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)Br)OC)C
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Product OPENEYE NAME: (4S)-6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C21H18N4O2
MOLECULAR WEIGHT: 358.39322
SMILES: CC1=NN(C2=C1[C@@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4
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