Thursday, June 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (7E)-7-(cyanomethylene)-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: (7E)-7-(cyanomethylidene)-3,3-dimethyl-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: (7E)-7-(cyanomethylidene)-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: (7E)-7-(cyanomethylidene)-3,3-dimethyl-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C18H18N3O4S-
MOLECULAR WEIGHT: 372.41822
SMILES: CC1(C(N\2C(S1)C(/C2=C\C#N)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C
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Product OPENEYE NAME: (7E)-7-(cyanomethylene)-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (7E)-7-(cyanomethylidene)-3,3-dimethyl-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (7E)-7-(cyanomethylidene)-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (7E)-7-(cyanomethylidene)-3,3-dimethyl-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C18H19N3O4S
MOLECULAR WEIGHT: 373.42616
SMILES: CC1(C(N\2C(S1)C(/C2=C\C#N)NC(=O)COC3=CC=CC=C3)C(=O)O)C
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Product OPENEYE NAME: (7E)-6-amino-7-(2-methoxy-2-oxo-ethylidene)-3,3-dimethyl-6-methylsulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: (7E)-6-amino-7-(2-methoxy-2-oxoethylidene)-3,3-dimethyl-6-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: (7E)-6-amino-7-(2-methoxy-2-oxoethylidene)-3,3-dimethyl-6-methylsulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: (7E)-6-azanyl-7-(2-methoxy-2-oxidanylidene-ethylidene)-3,3-dimethyl-6-methylsulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C12H17N2O4S2-
MOLECULAR WEIGHT: 317.40438
SMILES: CC1(C(N\2C(S1)C(/C2=C\C(=O)OC)(N)SC)C(=O)[O-])C
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Product OPENEYE NAME: (7E)-6-amino-7-(2-methoxy-2-oxo-ethylidene)-3,3-dimethyl-6-methylsulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (7E)-6-amino-7-(2-methoxy-2-oxoethylidene)-3,3-dimethyl-6-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (7E)-6-amino-7-(2-methoxy-2-oxoethylidene)-3,3-dimethyl-6-methylsulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (7E)-6-azanyl-7-(2-methoxy-2-oxidanylidene-ethylidene)-3,3-dimethyl-6-methylsulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C12H18N2O4S2
MOLECULAR WEIGHT: 318.41232
SMILES: CC1(C(N\2C(S1)C(/C2=C\C(=O)OC)(N)SC)C(=O)O)C
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Product OPENEYE NAME: 2-[1H-imidazol-2-yl(diphenyl)methyl]-1H-imidazole
CAS Name: 2-[1H-imidazol-2-yl(diphenyl)methyl]-1H-imidazole
IUPAC NAME: 2-[1H-imidazol-2-yl(diphenyl)methyl]-1H-imidazole
SYSTEMATIC NAME: 2-[1H-imidazol-2-yl(diphenyl)methyl]-1H-imidazole
MOLECULAR FORMULA: C19H16N4
MOLECULAR WEIGHT: 300.35714
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CN3)C4=NC=CN4
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Product OPENEYE NAME: 2-(5-nitro-2-furyl)-4-vinyl-pyrimidine
CAS Name: 4-ethenyl-2-(5-nitro-2-furanyl)pyrimidine
IUPAC NAME: 4-ethenyl-2-(5-nitrofuran-2-yl)pyrimidine
SYSTEMATIC NAME: 4-ethenyl-2-(5-nitrofuran-2-yl)pyrimidine
MOLECULAR FORMULA: C10H7N3O3
MOLECULAR WEIGHT: 217.18088
SMILES: C=CC1=NC(=NC=C1)C2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(3,4-dichlorophenyl)-N-(1,4-dioxo-9-pyrrolidin-1-yl-spiro[4.5]decan-8-yl)-N-methyl-acetamide
CAS Name: 2-(3,4-dichlorophenyl)-N-[1,4-dioxo-9-(1-pyrrolidinyl)-8-spiro[4.5]decanyl]-N-methylacetamide
IUPAC NAME: 2-(3,4-dichlorophenyl)-N-(1,4-dioxo-9-pyrrolidin-1-ylspiro[4.5]decan-8-yl)-N-methylacetamide
SYSTEMATIC NAME: N-[1,4-bis(oxidanylidene)-9-pyrrolidin-1-yl-spiro[4.5]decan-8-yl]-2-(3,4-dichlorophenyl)-N-methyl-ethanamide
MOLECULAR FORMULA: C23H28Cl2N2O3
MOLECULAR WEIGHT: 451.38602
SMILES: CN(C1CCC2(CC1N3CCCC3)C(=O)CCC2=O)C(=O)CC4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 3-cyclopentylidene-1,2,2-trimethyl-cyclopropanecarboxylic acid
CAS Name: 3-cyclopentylidene-1,2,2-trimethyl-1-cyclopropanecarboxylic acid
IUPAC NAME: 3-cyclopentylidene-1,2,2-trimethylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 3-cyclopentylidene-1,2,2-trimethyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC1(C(=C2CCCC2)C1(C)C(=O)O)C
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Product OPENEYE NAME: 1,2-dibromo-3-(2,2-dichloroethyl)cyclopropanecarboxylic acid
CAS Name: 1,2-dibromo-3-(2,2-dichloroethyl)-1-cyclopropanecarboxylic acid
IUPAC NAME: 1,2-dibromo-3-(2,2-dichloroethyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 2-[2,2-bis(chloranyl)ethyl]-1,3-bis(bromanyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C6H6Br2Cl2O2
MOLECULAR WEIGHT: 340.82464
SMILES: C(C1C(C1(C(=O)O)Br)Br)C(Cl)Cl
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Product OPENEYE NAME: 3-cyclopropylidene-1,2,2-trimethyl-cyclopropanecarboxylic acid
CAS Name: 3-cyclopropylidene-1,2,2-trimethyl-1-cyclopropanecarboxylic acid
IUPAC NAME: 3-cyclopropylidene-1,2,2-trimethylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 3-cyclopropylidene-1,2,2-trimethyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC1(C(=C2CC2)C1(C)C(=O)O)C
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Product OPENEYE NAME: 3-cyclobutylidene-1,2,2-trimethyl-cyclopropanecarboxylic acid
CAS Name: 3-cyclobutylidene-1,2,2-trimethyl-1-cyclopropanecarboxylic acid
IUPAC NAME: 3-cyclobutylidene-1,2,2-trimethylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 3-cyclobutylidene-1,2,2-trimethyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1(C(=C2CCC2)C1(C)C(=O)O)C
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Product OPENEYE NAME: [4-(difluoromethoxy)phenyl] 3-methylbutanoate
CAS Name: 3-methylbutanoic acid [4-(difluoromethoxy)phenyl] ester
IUPAC NAME: [4-(difluoromethoxy)phenyl] 3-methylbutanoate
SYSTEMATIC NAME: [4-[bis(fluoranyl)methoxy]phenyl] 3-methylbutanoate
MOLECULAR FORMULA: C12H14F2O3
MOLECULAR WEIGHT: 244.234566
SMILES: CC(C)CC(=O)OC1=CC=C(C=C1)OC(F)F
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Product OPENEYE NAME: bromo 2-bromo-3-(2,2-dichloroethyl)cyclopropanecarboxylate
CAS Name: 2-bromo-3-(2,2-dichloroethyl)-1-cyclopropanecarboxylic acid bromo ester
IUPAC NAME: bromo 2-bromo-3-(2,2-dichloroethyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: bromanyl 2-[2,2-bis(chloranyl)ethyl]-3-bromanyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C6H6Br2Cl2O2
MOLECULAR WEIGHT: 340.82464
SMILES: C(C1C(C1Br)C(=O)OBr)C(Cl)Cl
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Product OPENEYE NAME: 3-(4-fluoro-3-phenoxy-phenyl)-2-hydroxy-propanenitrile
CAS Name: 3-(4-fluoro-3-phenoxyphenyl)-2-hydroxypropanenitrile
IUPAC NAME: 3-(4-fluoro-3-phenoxyphenyl)-2-hydroxypropanenitrile
SYSTEMATIC NAME: 3-(4-fluoranyl-3-phenoxy-phenyl)-2-oxidanyl-propanenitrile
MOLECULAR FORMULA: C15H12FNO2
MOLECULAR WEIGHT: 257.259683
SMILES: C1=CC=C(C=C1)OC2=C(C=CC(=C2)CC(C#N)O)F
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Product OPENEYE NAME: 3-(cyclobutylidenemethyl)-2,2-dimethyl-cyclopropanecarboxylate
CAS Name: 3-(cyclobutylidenemethyl)-2,2-dimethyl-1-cyclopropanecarboxylate
IUPAC NAME: 3-(cyclobutylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: 3-(cyclobutylidenemethyl)-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C11H15O2-
MOLECULAR WEIGHT: 179.2356
SMILES: CC1(C(C1C(=O)[O-])C=C2CCC2)C
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Product OPENEYE NAME: 4-[2-[3-[(E)-[[2-oxo-2-(2-pyridyl)ethyl]hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-[[2-oxo-2-(2-pyridinyl)ethyl]hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-[(2-oxo-2-pyridin-2-ylethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-[(2-oxidanylidene-2-pyridin-2-yl-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H25N3O4
MOLECULAR WEIGHT: 407.4623
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)/C=N/NCC(=O)C4=CC=CC=N4
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-oxo-4-phenyl-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-oxo-4-phenylbut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-oxo-4-phenylbut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-oxidanylidene-4-phenyl-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C25H26O4
MOLECULAR WEIGHT: 390.47154
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)/C=C/C(=O)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[3-[(E)-[(2-oxo-2-propoxy-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-[(2-oxo-2-propoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-[(2-oxo-2-propoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-[(2-oxidanylidene-2-propoxy-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H26N2O5
MOLECULAR WEIGHT: 374.43084
SMILES: CCCOC(=O)CN/N=C/C1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-[methyl(phenylcarbamoyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-[[anilino(oxo)methyl]-methylhydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-[methyl(phenylcarbamoyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-[methyl(phenylcarbamoyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CN(C(=O)NC1=CC=CC=C1)/N=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[[3-[(E)-3-hydroxy-4-phenyl-hex-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-3-hydroxy-4-phenylhex-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-3-hydroxy-4-phenylhex-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-3-oxidanyl-4-phenyl-hex-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C26H30O4
MOLECULAR WEIGHT: 406.514
SMILES: CCC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3)O
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