Monday, June 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-thienylsulfanylmethyl)thiophene-3-carbonyl azide
CAS Name: azido-[2-[(thiophen-2-ylthio)methyl]-3-thiophenyl]methanone
IUPAC NAME: 2-(thiophen-2-ylsulfanylmethyl)thiophene-3-carbonyl azide
SYSTEMATIC NAME: azido-[2-(thiophen-2-ylsulfanylmethyl)thiophen-3-yl]methanone
MOLECULAR FORMULA: C10H7N3OS3
MOLECULAR WEIGHT: 281.37708
SMILES: C1=CSC(=C1)SCC2=C(C=CS2)C(=O)N=[N+]=[N-]
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Product OPENEYE NAME: [(2R,3S,5R)-3-acetoxy-5-[5-(1-hydroxy-2-iodo-ethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-[5-(1-hydroxy-2-iodoethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3S,5R)-3-acetyloxy-5-[5-(1-hydroxy-2-iodoethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,5R)-3-acetyloxy-5-[5-(2-iodanyl-1-oxidanyl-ethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19IN2O8
MOLECULAR WEIGHT: 482.22443
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C(CI)O)OC(=O)C
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Product OPENEYE NAME: [(2R,3S)-3-acetoxy-5-[5-(2-iodo-1-methoxy-ethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S)-3-acetyloxy-5-[5-(2-iodo-1-methoxyethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3S)-3-acetyloxy-5-[5-(2-iodo-1-methoxyethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S)-3-acetyloxy-5-[5-(2-iodanyl-1-methoxy-ethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H21IN2O8
MOLECULAR WEIGHT: 496.25101
SMILES: CC(=O)OC[C@@H]1[C@H](CC(O1)N2C=C(C(=O)NC2=O)C(CI)OC)OC(=O)C
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Product OPENEYE NAME: [(2R,3S,5R)-3-acetoxy-5-[5-(2-bromo-1-ethoxy-ethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-[5-(2-bromo-1-ethoxyethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3S,5R)-3-acetyloxy-5-[5-(2-bromo-1-ethoxyethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,5R)-3-acetyloxy-5-[5-(2-bromanyl-1-ethoxy-ethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H23BrN2O8
MOLECULAR WEIGHT: 463.27712
SMILES: CCOC(CBr)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)OC(=O)C
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Product OPENEYE NAME: ethyl (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropanecarboxylate
CAS Name: (1S,2R)-1-phenyl-2-(1-pyrrolylmethyl)-1-cyclopropanecarboxylic acid ethyl ester
IUPAC NAME: ethyl (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: CCOC(=O)[C@]1(C[C@H]1CN2C=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (1S,2R)-1-phenyl-2-[[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]methyl]cyclopropanecarboxylic acid
CAS Name: (1S,2R)-1-phenyl-2-[[2-(2,2,2-trifluoro-1-oxoethyl)-1-pyrrolyl]methyl]-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-1-phenyl-2-[[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]methyl]cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-1-phenyl-2-[[2-[2,2,2-tris(fluoranyl)ethanoyl]pyrrol-1-yl]methyl]cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C17H14F3NO3
MOLECULAR WEIGHT: 337.29317
SMILES: C1[C@H]([C@@]1(C2=CC=CC=C2)C(=O)O)CN3C=CC=C3C(=O)C(F)(F)F
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Product OPENEYE NAME: (6S,7S)-6-[(dimethylamino)methyl]-7-phenyl-6,7-dihydro-5H-indolizin-8-one
CAS Name: (6S,7S)-6-[(dimethylamino)methyl]-7-phenyl-6,7-dihydro-5H-indolizin-8-one
IUPAC NAME: (6S,7S)-6-[(dimethylamino)methyl]-7-phenyl-6,7-dihydro-5H-indolizin-8-one
SYSTEMATIC NAME: (6S,7S)-6-[(dimethylamino)methyl]-7-phenyl-6,7-dihydro-5H-indolizin-8-one
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: CN(C)C[C@H]1CN2C=CC=C2C(=O)[C@@H]1C3=CC=CC=C3
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Product OPENEYE NAME: (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropanecarboxylic acid
CAS Name: (1S,2R)-1-phenyl-2-(1-pyrrolylmethyl)-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: C1[C@H]([C@@]1(C2=CC=CC=C2)C(=O)O)CN3C=CC=C3
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Product OPENEYE NAME: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropanecarboxylic acid
CAS Name: (1S,2R)-1-(2-methoxyphenyl)-2-(1-pyrrolylmethyl)-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: COC1=CC=CC=C1[C@@]2(C[C@H]2CN3C=CC=C3)C(=O)O
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Product OPENEYE NAME: (1S,2R)-2-[(2-methylpyrrol-1-yl)methyl]-1-phenyl-cyclopropanecarboxylic acid
CAS Name: (1S,2R)-2-[(2-methyl-1-pyrrolyl)methyl]-1-phenyl-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-2-[(2-methylpyrrol-1-yl)methyl]-1-phenylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-2-[(2-methylpyrrol-1-yl)methyl]-1-phenyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CC1=CC=CN1C[C@@H]2C[C@]2(C3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: ethoxycarbonyl (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropanecarboxylate
CAS Name: (1S,2R)-1-phenyl-2-(1-pyrrolylmethyl)-1-cyclopropanecarboxylic acid ethoxycarbonyl ester
IUPAC NAME: ethoxycarbonyl (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: ethoxycarbonyl (1S,2R)-1-phenyl-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C18H19NO4
MOLECULAR WEIGHT: 313.34776
SMILES: CCOC(=O)OC(=O)[C@]1(C[C@H]1CN2C=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (1S,2R)-2-(indol-1-ylmethyl)-1-phenyl-cyclopropanecarboxylic acid
CAS Name: (1S,2R)-2-(1-indolylmethyl)-1-phenyl-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-2-(indol-1-ylmethyl)-1-phenylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-2-(indol-1-ylmethyl)-1-phenyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: C1[C@H]([C@@]1(C2=CC=CC=C2)C(=O)O)CN3C=CC4=CC=CC=C43
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Product OPENEYE NAME: (1S,2R)-2-[(3-methylindol-1-yl)methyl]-1-phenyl-cyclopropanecarboxylic acid
CAS Name: (1S,2R)-2-[(3-methyl-1-indolyl)methyl]-1-phenyl-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-2-[(3-methylindol-1-yl)methyl]-1-phenylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-2-[(3-methylindol-1-yl)methyl]-1-phenyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C20H19NO2
MOLECULAR WEIGHT: 305.37036
SMILES: CC1=CN(C2=CC=CC=C12)C[C@@H]3C[C@]3(C4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (1S,2R)-1-phenyl-2-(pyrazol-1-ylmethyl)cyclopropanecarboxylic acid
CAS Name: (1S,2R)-1-phenyl-2-(1-pyrazolylmethyl)-1-cyclopropanecarboxylic acid
IUPAC NAME: (1S,2R)-1-phenyl-2-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2R)-1-phenyl-2-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: C1[C@H]([C@@]1(C2=CC=CC=C2)C(=O)O)CN3C=CC=N3
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Product OPENEYE NAME: 7-methyl-7-phenyl-5,6-dihydroindolizin-8-one
CAS Name: 7-methyl-7-phenyl-5,6-dihydroindolizin-8-one
IUPAC NAME: 7-methyl-7-phenyl-5,6-dihydroindolizin-8-one
SYSTEMATIC NAME: 7-methyl-7-phenyl-5,6-dihydroindolizin-8-one
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: CC1(CCN2C=CC=C2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(1E)-1-(3H-1,3-benzothiazol-2-ylidene)-2-oxo-2-phenyl-ethyl] benzoate
CAS Name: benzoic acid [(1E)-1-(3H-1,3-benzothiazol-2-ylidene)-2-oxo-2-phenylethyl] ester
IUPAC NAME: [(1E)-1-(3H-1,3-benzothiazol-2-ylidene)-2-oxo-2-phenylethyl] benzoate
SYSTEMATIC NAME: [(1E)-1-(3H-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-2-phenyl-ethyl] benzoate
MOLECULAR FORMULA: C22H15NO3S
MOLECULAR WEIGHT: 373.4244
SMILES: C1=CC=C(C=C1)C(=O)/C(=C\2/NC3=CC=CC=C3S2)/OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: phenyl N-(2-hydroxy-5-methyl-phenyl)carbamate
CAS Name: N-(2-hydroxy-5-methylphenyl)carbamic acid phenyl ester
IUPAC NAME: phenyl N-(2-hydroxy-5-methylphenyl)carbamate
SYSTEMATIC NAME: phenyl N-(5-methyl-2-oxidanyl-phenyl)carbamate
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: CC1=CC(=C(C=C1)O)NC(=O)OC2=CC=CC=C2
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Product OPENEYE NAME: phenyl N-(2-hydroxy-4-methyl-phenyl)carbamate
CAS Name: N-(2-hydroxy-4-methylphenyl)carbamic acid phenyl ester
IUPAC NAME: phenyl N-(2-hydroxy-4-methylphenyl)carbamate
SYSTEMATIC NAME: phenyl N-(4-methyl-2-oxidanyl-phenyl)carbamate
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: CC1=CC(=C(C=C1)NC(=O)OC2=CC=CC=C2)O
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Product OPENEYE NAME: phenyl N-(2-hydroxy-6-nitro-phenyl)carbamate
CAS Name: N-(2-hydroxy-6-nitrophenyl)carbamic acid phenyl ester
IUPAC NAME: phenyl N-(2-hydroxy-6-nitrophenyl)carbamate
SYSTEMATIC NAME: phenyl N-(2-nitro-6-oxidanyl-phenyl)carbamate
MOLECULAR FORMULA: C13H10N2O5
MOLECULAR WEIGHT: 274.2289
SMILES: C1=CC=C(C=C1)OC(=O)NC2=C(C=CC=C2O)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 4-hydroxy-3-(phenoxycarbonylamino)benzoate
CAS Name: 4-hydroxy-3-[[oxo(phenoxy)methyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-hydroxy-3-(phenoxycarbonylamino)benzoate
SYSTEMATIC NAME: ethyl 4-oxidanyl-3-(phenoxycarbonylamino)benzoate
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: CCOC(=O)C1=CC(=C(C=C1)O)NC(=O)OC2=CC=CC=C2
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Product OPENEYE NAME: phenyl N-(2-hydroxy-4-methoxy-phenyl)carbamate
CAS Name: N-(2-hydroxy-4-methoxyphenyl)carbamic acid phenyl ester
IUPAC NAME: phenyl N-(2-hydroxy-4-methoxyphenyl)carbamate
SYSTEMATIC NAME: phenyl N-(4-methoxy-2-oxidanyl-phenyl)carbamate
MOLECULAR FORMULA: C14H13NO4
MOLECULAR WEIGHT: 259.25732
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC=CC=C2)O
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Product OPENEYE NAME: methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate
CAS Name: (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid methyl ester
IUPAC NAME: methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: methyl (1S,6S)-6-(1H-imidazol-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CC1=C(C[C@@H]([C@H](C1)C2=CN=CN2)C(=O)OC)C
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Product OPENEYE NAME: methyl (1S,6S)-3,4-dimethyl-6-[1-(p-tolylsulfonyl)imidazol-4-yl]cyclohex-3-ene-1-carboxylate
CAS Name: (1S,6S)-3,4-dimethyl-6-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-1-cyclohex-3-enecarboxylic acid methyl ester
IUPAC NAME: methyl (1S,6S)-3,4-dimethyl-6-[1-(4-methylphenyl)sulfonylimidazol-4-yl]cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: methyl (1S,6S)-3,4-dimethyl-6-[1-(4-methylphenyl)sulfonylimidazol-4-yl]cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: CC1=C(C[C@@H]([C@H](C1)C2=CN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)C
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