Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 5-formyl-1-methyl-4-(1-methyl-2-phenyl-ethyl)pyrrole-2-carboxylate
CAS Name: 5-formyl-1-methyl-4-(1-phenylpropan-2-yl)-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 5-formyl-1-methyl-4-(1-phenylpropan-2-yl)pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-methanoyl-1-methyl-4-(1-phenylpropan-2-yl)pyrrole-2-carboxylate
MOLECULAR FORMULA: C17H19NO3
MOLECULAR WEIGHT: 285.33766
SMILES: CC(CC1=CC=CC=C1)C2=C(N(C(=C2)C(=O)OC)C)C=O
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Product OPENEYE NAME: 2-(hydroxymethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
CAS Name: 2-(hydroxymethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
IUPAC NAME: 2-(hydroxymethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
SYSTEMATIC NAME: 2-(hydroxymethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
MOLECULAR FORMULA: C15H15NO3
MOLECULAR WEIGHT: 257.2845
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CO
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Product OPENEYE NAME: 3-[(3-chlorophenoxy)methyl]-1-methyl-5-oxalo-pyrrole-2-carboxylic acid
CAS Name: 3-[(3-chlorophenoxy)methyl]-1-methyl-5-oxalo-2-pyrrolecarboxylic acid
IUPAC NAME: 3-[(3-chlorophenoxy)methyl]-1-methyl-5-oxalopyrrole-2-carboxylic acid
SYSTEMATIC NAME: 5-(carboxycarbonyl)-3-[(3-chloranylphenoxy)methyl]-1-methyl-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C15H12ClNO6
MOLECULAR WEIGHT: 337.71188
SMILES: CN1C(=CC(=C1C(=O)O)COC2=CC(=CC=C2)Cl)C(=O)C(=O)O
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Product OPENEYE NAME: diethyl 1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2,5-dicarboxylate
CAS Name: 1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2,5-dicarboxylate
SYSTEMATIC NAME: diethyl 1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2,5-dicarboxylate
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CCOC(=O)C1=CC(=C(N1C)C(=O)OCC)COC2=CC=CC(=C2)C
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Product OPENEYE NAME: 1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
CAS Name: 1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
IUPAC NAME: 1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
SYSTEMATIC NAME: 1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=CN3C
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Product OPENEYE NAME: 2-[5-tert-butoxycarbonyl-4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-pyrrol-2-yl]acetate
CAS Name: 2-[4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolyl]acetate
IUPAC NAME: 2-[4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]acetate
SYSTEMATIC NAME: 2-[4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]ethanoate
MOLECULAR FORMULA: C24H29ClNO6-
MOLECULAR WEIGHT: 462.94316
SMILES: CCC1(C(=C(C(=N1)C(=O)OC(C)(C)C)CCC2=CC(=CC=C2)Cl)C(=O)OCC)CC(=O)[O-]
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Product OPENEYE NAME: 2-[5-tert-butoxycarbonyl-4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-pyrrol-2-yl]acetic acid
CAS Name: 2-[4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolyl]acetic acid
IUPAC NAME: 2-[4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]acetic acid
SYSTEMATIC NAME: 2-[4-[2-(3-chlorophenyl)ethyl]-3-ethoxycarbonyl-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]ethanoic acid
MOLECULAR FORMULA: C24H30ClNO6
MOLECULAR WEIGHT: 463.9511
SMILES: CCC1(C(=C(C(=N1)C(=O)OC(C)(C)C)CCC2=CC(=CC=C2)Cl)C(=O)OCC)CC(=O)O
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Product OPENEYE NAME: 2-(2-hydroxyethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
CAS Name: 2-(2-hydroxyethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
IUPAC NAME: 2-(2-hydroxyethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
SYSTEMATIC NAME: 2-(2-hydroxyethyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CCO
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Product OPENEYE NAME: 2-(7-chloro-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indol-2-yl)propanoic acid
CAS Name: 2-(7-chloro-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indol-2-yl)propanoic acid
IUPAC NAME: 2-(7-chloro-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indol-2-yl)propanoic acid
SYSTEMATIC NAME: 2-(7-chloranyl-1-methyl-10-oxidanylidene-4,5-dihydro-1H-cyclohepta[b]indol-2-yl)propanoic acid
MOLECULAR FORMULA: C17H16ClNO3
MOLECULAR WEIGHT: 317.76684
SMILES: CC1C(=CCC2=C1C3=C(N2)C=C(C=CC3=O)Cl)C(C)C(=O)O
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Product OPENEYE NAME: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetate
CAS Name: 2-[3-ethyl-1,4-dimethyl-5-[(2-nitrophenyl)-oxomethyl]-2-pyrrolyl]acetate
IUPAC NAME: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetate
SYSTEMATIC NAME: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrophenyl)carbonyl-pyrrol-2-yl]ethanoate
MOLECULAR FORMULA: C17H17N2O5-
MOLECULAR WEIGHT: 329.32728
SMILES: CCC1=C(N(C(=C1C)C(=O)C2=CC=CC=C2[N+](=O)[O-])C)CC(=O)[O-]
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Product OPENEYE NAME: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetic acid
CAS Name: 2-[3-ethyl-1,4-dimethyl-5-[(2-nitrophenyl)-oxomethyl]-2-pyrrolyl]acetic acid
IUPAC NAME: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetic acid
SYSTEMATIC NAME: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrophenyl)carbonyl-pyrrol-2-yl]ethanoic acid
MOLECULAR FORMULA: C17H18N2O5
MOLECULAR WEIGHT: 330.33522
SMILES: CCC1=C(N(C(=C1C)C(=O)C2=CC=CC=C2[N+](=O)[O-])C)CC(=O)O
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Product OPENEYE NAME: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoate
CAS Name: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoate
IUPAC NAME: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoate
SYSTEMATIC NAME: 2-azanyl-2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoate
MOLECULAR FORMULA: C17H17N2O4-
MOLECULAR WEIGHT: 313.32788
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)C(C)(C(=O)[O-])N
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Product OPENEYE NAME: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid
CAS Name: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid
IUPAC NAME: 2-amino-2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanoic acid
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)C(C)(C(=O)O)N
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