Friday, April 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-(4-pyridyl)ethylcarbamoyl]benzoic acid
CAS Name: 2-[oxo-(2-pyridin-4-ylethylamino)methyl]benzoic acid
IUPAC NAME: 2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
SYSTEMATIC NAME: 2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
MOLECULAR FORMULA: C15H14N2O3
MOLECULAR WEIGHT: 270.28326
SMILES: C1=CC=C(C(=C1)C(=O)NCCC2=CC=NC=C2)C(=O)O
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Product OPENEYE NAME: 4,5-dichloro-2-[2-(4-pyridyl)ethylcarbamoyl]benzoic acid
CAS Name: 4,5-dichloro-2-[oxo-(2-pyridin-4-ylethylamino)methyl]benzoic acid
IUPAC NAME: 4,5-dichloro-2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
MOLECULAR FORMULA: C15H12Cl2N2O3
MOLECULAR WEIGHT: 339.17338
SMILES: C1=CN=CC=C1CCNC(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl
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Product OPENEYE NAME: (1R,6S)-6-[2-(4-pyridyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS Name: (1R,6S)-6-[oxo-(2-pyridin-4-ylethylamino)methyl]-1-cyclohex-3-enecarboxylic acid
IUPAC NAME: (1R,6S)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: (1R,6S)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C1C=CC[C@H]([C@H]1C(=O)NCCC2=CC=NC=C2)C(=O)O
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Product OPENEYE NAME: (1R,6R)-6-[2-(4-pyridyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS Name: (1R,6R)-6-[oxo-(2-pyridin-4-ylethylamino)methyl]-1-cyclohex-3-enecarboxylic acid
IUPAC NAME: (1R,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: (1R,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NCCC2=CC=NC=C2)C(=O)O
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Product OPENEYE NAME: (1S,6S)-6-[2-(4-pyridyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS Name: (1S,6S)-6-[oxo-(2-pyridin-4-ylethylamino)methyl]-1-cyclohex-3-enecarboxylic acid
IUPAC NAME: (1S,6S)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: (1S,6S)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NCCC2=CC=NC=C2)C(=O)O
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Product OPENEYE NAME: (1S,6R)-6-[2-(4-pyridyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS Name: (1S,6R)-6-[oxo-(2-pyridin-4-ylethylamino)methyl]-1-cyclohex-3-enecarboxylic acid
IUPAC NAME: (1S,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: (1S,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NCCC2=CC=NC=C2)C(=O)O
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Product OPENEYE NAME: N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CAS Name: N-[2-(1-pyrrolidinyl)ethyl]-2-furancarboxamide
IUPAC NAME: N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: C1CCN(C1)CCNC(=O)C2=CC=CO2
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Product OPENEYE NAME: [(1S)-2-[benzyl(methyl)amino]-1-methyl-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-[benzyl(methyl)amino]propan-2-yl] furan-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl-(phenylmethyl)amino]propan-2-yl] furan-2-carboxylate
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: C[C@@H](CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=CO2
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Product OPENEYE NAME: [(1R)-2-[benzyl(methyl)amino]-1-methyl-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-[benzyl(methyl)amino]propan-2-yl] furan-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[methyl-(phenylmethyl)amino]propan-2-yl] furan-2-carboxylate
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: C[C@H](CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=CO2
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Product OPENEYE NAME: [(1S)-2-[benzyl(methyl)amino]-1-methyl-ethyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-[benzyl(methyl)amino]propan-2-yl] thiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl-(phenylmethyl)amino]propan-2-yl] thiophene-2-carboxylate
MOLECULAR FORMULA: C16H19NO2S
MOLECULAR WEIGHT: 289.39256
SMILES: C[C@@H](CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=CS2
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Product OPENEYE NAME: [(1R)-2-[benzyl(methyl)amino]-1-methyl-ethyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-[benzyl(methyl)amino]propan-2-yl] thiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[methyl-(phenylmethyl)amino]propan-2-yl] thiophene-2-carboxylate
MOLECULAR FORMULA: C16H19NO2S
MOLECULAR WEIGHT: 289.39256
SMILES: C[C@H](CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=CS2
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Product OPENEYE NAME: [(1R)-2-[benzyl(methyl)amino]-1-methyl-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SYSTEMATIC NAME: [(2R)-1-[methyl-(phenylmethyl)amino]propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: C[C@H](CN(C)CC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: [(1S)-2-[benzyl(methyl)amino]-1-methyl-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-[benzyl(methyl)amino]propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl-(phenylmethyl)amino]propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: C[C@@H](CN(C)CC1=CC=CC=C1)OC(=O)[C@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: 2-(1-piperidyl)ethyl thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid 2-(1-piperidinyl)ethyl ester
IUPAC NAME: 2-piperidin-1-ylethyl thiophene-2-carboxylate
SYSTEMATIC NAME: 2-piperidin-1-ylethyl thiophene-2-carboxylate
MOLECULAR FORMULA: C12H17NO2S
MOLECULAR WEIGHT: 239.33388
SMILES: C1CCN(CC1)CCOC(=O)C2=CC=CS2
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Product OPENEYE NAME: 2-(1-piperidyl)ethyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-(1-piperidinyl)ethyl ester
IUPAC NAME: 2-piperidin-1-ylethyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
SYSTEMATIC NAME: 2-piperidin-1-ylethyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: C1CCN(CC1)CCOC(=O)[C@@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: 2-(1-piperidyl)ethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-(1-piperidinyl)ethyl ester
IUPAC NAME: 2-piperidin-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
SYSTEMATIC NAME: 2-piperidin-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: C1CCN(CC1)CCOC(=O)[C@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CAS Name: N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
IUPAC NAME: N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SYSTEMATIC NAME: N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MOLECULAR FORMULA: C11H10N4O3
MOLECULAR WEIGHT: 246.2221
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC=NN3
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Product OPENEYE NAME: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [(2S)-1-(4-methyl-1-piperidinyl)propan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl] furan-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl] furan-2-carboxylate
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CC1CCN(CC1)C[C@H](C)OC(=O)C2=CC=CO2
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Product OPENEYE NAME: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)ethyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [(2S)-1-(4-methyl-1-piperidinyl)propan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl] thiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl] thiophene-2-carboxylate
MOLECULAR FORMULA: C14H21NO2S
MOLECULAR WEIGHT: 267.38704
SMILES: CC1CCN(CC1)C[C@H](C)OC(=O)C2=CC=CS2
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Product OPENEYE NAME: [(1R)-1-methyl-2-(4-methyl-1-piperidyl)ethyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [(2R)-1-(4-methyl-1-piperidinyl)propan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl] thiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl] thiophene-2-carboxylate
MOLECULAR FORMULA: C14H21NO2S
MOLECULAR WEIGHT: 267.38704
SMILES: CC1CCN(CC1)C[C@@H](C)OC(=O)C2=CC=CS2
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Product OPENEYE NAME: [(1R)-1-methyl-2-(4-methyl-1-piperidyl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2R)-1-(4-methyl-1-piperidinyl)propan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SYSTEMATIC NAME: [(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
MOLECULAR FORMULA: C18H25NO4
MOLECULAR WEIGHT: 319.3954
SMILES: CC1CCN(CC1)C[C@@H](C)OC(=O)C2=CC3=C(C=C2)OCCO3
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