Wednesday, June 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(3,3-dimethyl-1,2-dihydrobenzo[f]chromen-1-yl)acetic acid
CAS Name: 2-(3,3-dimethyl-1,2-dihydrobenzo[f][1]benzopyran-1-yl)acetic acid
IUPAC NAME: 2-(3,3-dimethyl-1,2-dihydrobenzo[f]chromen-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,3-dimethyl-1,2-dihydrobenzo[f]chromen-1-yl)ethanoic acid
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: CC1(CC(C2=C(O1)C=CC3=CC=CC=C32)CC(=O)O)C
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Product OPENEYE NAME: 1-bromo-2,3-dihydro-1H-benzo[f]chromene
CAS Name: 1-bromo-2,3-dihydro-1H-benzo[f][1]benzopyran
IUPAC NAME: 1-bromo-2,3-dihydro-1H-benzo[f]chromene
SYSTEMATIC NAME: 1-bromanyl-2,3-dihydro-1H-benzo[f]chromene
MOLECULAR FORMULA: C13H11BrO
MOLECULAR WEIGHT: 263.12984
SMILES: C1COC2=C(C1Br)C3=CC=CC=C3C=C2
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Product OPENEYE NAME: 1-(2,3-dihydro-1H-benzo[f]chromen-1-yl)-2,3-dihydro-1H-benzo[f]chromene
CAS Name: 1-(2,3-dihydro-1H-benzo[f][1]benzopyran-1-yl)-2,3-dihydro-1H-benzo[f][1]benzopyran
IUPAC NAME: 1-(2,3-dihydro-1H-benzo[f]chromen-1-yl)-2,3-dihydro-1H-benzo[f]chromene
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-benzo[f]chromen-1-yl)-2,3-dihydro-1H-benzo[f]chromene
MOLECULAR FORMULA: C26H22O2
MOLECULAR WEIGHT: 366.45168
SMILES: C1COC2=C(C1C3CCOC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6C=C2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H34N2O7
MOLECULAR WEIGHT: 450.52526
SMILES: CCOC(=O)CC(C(=O)OCC)C1(CC(=O)C2=C3N1CCCN3CCCC2)C(=O)OCC
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Product OPENEYE NAME: ethyl 4-(bromomethyl)pyridine-2-carboxylate
CAS Name: 4-(bromomethyl)-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(bromomethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-(bromomethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: CCOC(=O)C1=NC=CC(=C1)CBr
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Product OPENEYE NAME: (2-ethoxycarbonyl-4-pyridyl)methanesulfonate
CAS Name: (2-ethoxycarbonyl-4-pyridinyl)methanesulfonate
IUPAC NAME: (2-ethoxycarbonylpyridin-4-yl)methanesulfonate
SYSTEMATIC NAME: (2-ethoxycarbonylpyridin-4-yl)methanesulfonate
MOLECULAR FORMULA: C9H10NO5S-
MOLECULAR WEIGHT: 244.2444
SMILES: CCOC(=O)C1=NC=CC(=C1)CS(=O)(=O)[O-]
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Product OPENEYE NAME: (2-ethoxycarbonyl-4-pyridyl)methanesulfonic acid
CAS Name: (2-ethoxycarbonyl-4-pyridinyl)methanesulfonic acid
IUPAC NAME: (2-ethoxycarbonylpyridin-4-yl)methanesulfonic acid
SYSTEMATIC NAME: (2-ethoxycarbonylpyridin-4-yl)methanesulfonic acid
MOLECULAR FORMULA: C9H11NO5S
MOLECULAR WEIGHT: 245.25234
SMILES: CCOC(=O)C1=NC=CC(=C1)CS(=O)(=O)O
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Product OPENEYE NAME: (2-cyano-4-pyridyl)methanesulfonate
CAS Name: (2-cyano-4-pyridinyl)methanesulfonate
IUPAC NAME: (2-cyanopyridin-4-yl)methanesulfonate
SYSTEMATIC NAME: (2-cyanopyridin-4-yl)methanesulfonate
MOLECULAR FORMULA: C7H5N2O3S-
MOLECULAR WEIGHT: 197.1912
SMILES: C1=CN=C(C=C1CS(=O)(=O)[O-])C#N
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Product OPENEYE NAME: (2-cyano-4-pyridyl)methanesulfonic acid
CAS Name: (2-cyano-4-pyridinyl)methanesulfonic acid
IUPAC NAME: (2-cyanopyridin-4-yl)methanesulfonic acid
SYSTEMATIC NAME: (2-cyanopyridin-4-yl)methanesulfonic acid
MOLECULAR FORMULA: C7H6N2O3S
MOLECULAR WEIGHT: 198.19914
SMILES: C1=CN=C(C=C1CS(=O)(=O)O)C#N
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Product OPENEYE NAME: 4-(sulfomethyl)pyridine-2-carboxylic acid
CAS Name: 4-(sulfomethyl)-2-pyridinecarboxylic acid
IUPAC NAME: 4-(sulfomethyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 4-(sulfomethyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H7NO5S
MOLECULAR WEIGHT: 217.19918
SMILES: C1=CN=C(C=C1CS(=O)(=O)O)C(=O)O
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Product OPENEYE NAME: (2R,4S)-4-(sulfomethyl)piperidine-2-carboxylic acid
CAS Name: (2R,4S)-4-(sulfomethyl)-2-piperidinecarboxylic acid
IUPAC NAME: (2R,4S)-4-(sulfomethyl)piperidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S)-4-(sulfomethyl)piperidine-2-carboxylic acid
MOLECULAR FORMULA: C7H13NO5S
MOLECULAR WEIGHT: 223.24682
SMILES: C1CN[C@H](C[C@H]1CS(=O)(=O)O)C(=O)O
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Product OPENEYE NAME: tert-butyl-dimethyl-[(1-oxidopyridin-1-ium-4-yl)methoxy]silane
CAS Name: tert-butyl-dimethyl-[(1-oxido-4-pyridin-1-iumyl)methoxy]silane
IUPAC NAME: tert-butyl-dimethyl-[(1-oxidopyridin-1-ium-4-yl)methoxy]silane
SYSTEMATIC NAME: tert-butyl-dimethyl-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]silane
MOLECULAR FORMULA: C12H21NO2Si
MOLECULAR WEIGHT: 239.38614
SMILES: CC(C)(C)[Si](C)(C)OCC1=CC=[N+](C=C1)[O-]
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Product OPENEYE NAME: 2-tert-butyl-1-hydroxy-N,2-diphenyl-indolin-3-imine
CAS Name: 2-tert-butyl-1-hydroxy-N,2-diphenyl-3-indolimine
IUPAC NAME: 2-tert-butyl-1-hydroxy-N,2-diphenylindol-3-imine
SYSTEMATIC NAME: 2-tert-butyl-1-oxidanyl-N,2-diphenyl-indol-3-imine
MOLECULAR FORMULA: C24H24N2O
MOLECULAR WEIGHT: 356.46016
SMILES: CC(C)(C)C1(C(=NC2=CC=CC=C2)C3=CC=CC=C3N1O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-benzyl-1-hydroxy-N,2-diphenyl-indolin-3-imine
CAS Name: 1-hydroxy-N,2-diphenyl-2-(phenylmethyl)-3-indolimine
IUPAC NAME: 2-benzyl-1-hydroxy-N,2-diphenylindol-3-imine
SYSTEMATIC NAME: 1-oxidanyl-N,2-diphenyl-2-(phenylmethyl)indol-3-imine
MOLECULAR FORMULA: C27H22N2O
MOLECULAR WEIGHT: 390.47638
SMILES: C1=CC=C(C=C1)CC2(C(=NC3=CC=CC=C3)C4=CC=CC=C4N2O)C5=CC=CC=C5
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Product OPENEYE NAME: ethyl 3-[(3-ethoxy-3-oxo-propanoyl)-methyl-amino]-3-(2-pyridyl)propanoate
CAS Name: 3-[(3-ethoxy-1,3-dioxopropyl)-methylamino]-3-(2-pyridinyl)propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[(3-ethoxy-3-oxopropanoyl)-methylamino]-3-pyridin-2-ylpropanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxy-3-oxidanylidene-propanoyl)-methyl-amino]-3-pyridin-2-yl-propanoate
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CCOC(=O)CC(C1=CC=CC=N1)N(C)C(=O)CC(=O)OCC
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Product OPENEYE NAME: ethyl 3-[(3-ethoxy-3-oxo-propanoyl)-methyl-amino]-3-(2-quinolyl)propanoate
CAS Name: 3-[(3-ethoxy-1,3-dioxopropyl)-methylamino]-3-(2-quinolinyl)propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[(3-ethoxy-3-oxopropanoyl)-methylamino]-3-quinolin-2-ylpropanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxy-3-oxidanylidene-propanoyl)-methyl-amino]-3-quinolin-2-yl-propanoate
MOLECULAR FORMULA: C20H24N2O5
MOLECULAR WEIGHT: 372.41496
SMILES: CCOC(=O)CC(C1=NC2=CC=CC=C2C=C1)N(C)C(=O)CC(=O)OCC
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Product OPENEYE NAME: ethyl 3-[benzyl-(3-ethoxy-3-oxo-propanoyl)amino]-3-(2-quinolyl)propanoate
CAS Name: 3-[(3-ethoxy-1,3-dioxopropyl)-(phenylmethyl)amino]-3-(2-quinolinyl)propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[benzyl-(3-ethoxy-3-oxopropanoyl)amino]-3-quinolin-2-ylpropanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxy-3-oxidanylidene-propanoyl)-(phenylmethyl)amino]-3-quinolin-2-yl-propanoate
MOLECULAR FORMULA: C26H28N2O5
MOLECULAR WEIGHT: 448.51092
SMILES: CCOC(=O)CC(C1=NC2=CC=CC=C2C=C1)N(CC3=CC=CC=C3)C(=O)CC(=O)OCC
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