Thursday, August 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-phenyl-methanediol; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
CAS Name: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-phenylmethanediol; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
IUPAC NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanediol; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
SYSTEMATIC NAME: [6,7-bis(chloranyl)-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-phenyl-methanediol; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
MOLECULAR FORMULA: C25H23Cl2NO6
MOLECULAR WEIGHT: 504.35922
SMILES: C1C(OC2=C(C(=C(C=C21)C(C3=CC=CC=C3)(O)O)Cl)Cl)CO.C1C2=CC(=CC=C2)COC(=O)N1
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Product OPENEYE NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-phenyl-methanediol
CAS Name: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-phenylmethanediol
IUPAC NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanediol
SYSTEMATIC NAME: [6,7-bis(chloranyl)-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-phenyl-methanediol
MOLECULAR FORMULA: C16H14Cl2O4
MOLECULAR WEIGHT: 341.18596
SMILES: C1C(OC2=C(C(=C(C=C21)C(C3=CC=CC=C3)(O)O)Cl)Cl)CO
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Product OPENEYE NAME: 6,7-dichloro-5-(4-hydroxybenzoyl)-2,3-dihydrobenzofuran-2-carboxylate
CAS Name: 6,7-dichloro-5-[(4-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxylate
IUPAC NAME: 6,7-dichloro-5-(4-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: 6,7-bis(chloranyl)-5-(4-hydroxyphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C16H9Cl2O5-
MOLECULAR WEIGHT: 352.14566
SMILES: C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=C(C=C3)O)C(=O)[O-]
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Product OPENEYE NAME: 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydrobenzofuran-2-carboxamide; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
CAS Name: 6,7-dichloro-5-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxamide; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
IUPAC NAME: 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-2-carboxamide; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
SYSTEMATIC NAME: 6,7-bis(chloranyl)-5-(2-hydroxyphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxamide; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
MOLECULAR FORMULA: C25H20Cl2N2O6
MOLECULAR WEIGHT: 515.3421
SMILES: C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=CC=C3O)C(=O)N.C1C2=CC(=CC=C2)COC(=O)N1
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Product OPENEYE NAME: 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydrobenzofuran-2-carboxamide
CAS Name: 6,7-dichloro-5-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxamide
IUPAC NAME: 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: 6,7-bis(chloranyl)-5-(2-hydroxyphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C16H11Cl2NO4
MOLECULAR WEIGHT: 352.16884
SMILES: C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=CC=C3O)C(=O)N
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Product OPENEYE NAME: ethyl 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydrobenzofuran-2-carboxylate; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
CAS Name: 6,7-dichloro-5-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxylic acid ethyl ester; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
IUPAC NAME: ethyl 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-2-carboxylate; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
SYSTEMATIC NAME: ethyl 6,7-bis(chloranyl)-5-(2-hydroxyphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylate; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
MOLECULAR FORMULA: C27H23Cl2NO7
MOLECULAR WEIGHT: 544.38002
SMILES: CCOC(=O)C1CC2=C(O1)C(=C(C(=C2)C(=O)C3=CC=CC=C3O)Cl)Cl.C1C2=CC(=CC=C2)COC(=O)N1
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Product OPENEYE NAME: ethyl 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydrobenzofuran-2-carboxylate
CAS Name: 6,7-dichloro-5-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6,7-dichloro-5-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl 6,7-bis(chloranyl)-5-(2-hydroxyphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C18H14Cl2O5
MOLECULAR WEIGHT: 381.20676
SMILES: CCOC(=O)C1CC2=C(O1)C(=C(C(=C2)C(=O)C3=CC=CC=C3O)Cl)Cl
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Product OPENEYE NAME: methyl N-[1-(difluoromethyl)but-3-enyl]carbamate
CAS Name: N-(1,1-difluoropent-4-en-2-yl)carbamic acid methyl ester
IUPAC NAME: methyl N-(1,1-difluoropent-4-en-2-yl)carbamate
SYSTEMATIC NAME: methyl N-[1,1-bis(fluoranyl)pent-4-en-2-yl]carbamate
MOLECULAR FORMULA: C7H11F2NO2
MOLECULAR WEIGHT: 179.164546
SMILES: COC(=O)NC(CC=C)C(F)F
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Product OPENEYE NAME: N1-ethyl-4-fluoro-butane-1,3-diamine
CAS Name: N1-ethyl-4-fluorobutane-1,3-diamine
IUPAC NAME: 1-N-ethyl-4-fluorobutane-1,3-diamine
SYSTEMATIC NAME: N1-ethyl-4-fluoranyl-butane-1,3-diamine
MOLECULAR FORMULA: C6H15FN2
MOLECULAR WEIGHT: 134.195103
SMILES: CCNCCC(CF)N
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Product OPENEYE NAME: N-[4,4-difluoro-3-(2-phenylpropanoylamino)butyl]-2-phenyl-propanamide
CAS Name: N-[4,4-difluoro-3-[(1-oxo-2-phenylpropyl)amino]butyl]-2-phenylpropanamide
IUPAC NAME: N-[4,4-difluoro-3-(2-phenylpropanoylamino)butyl]-2-phenylpropanamide
SYSTEMATIC NAME: N-[4,4-bis(fluoranyl)-3-(2-phenylpropanoylamino)butyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C22H26F2N2O2
MOLECULAR WEIGHT: 388.450846
SMILES: CC(C1=CC=CC=C1)C(=O)NCCC(C(F)F)NC(=O)C(C)C2=CC=CC=C2
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Product OPENEYE NAME: N-[3-amino-1-(fluoromethyl)propyl]benzamide
CAS Name: N-(4-amino-1-fluorobutan-2-yl)benzamide
IUPAC NAME: N-(4-amino-1-fluorobutan-2-yl)benzamide
SYSTEMATIC NAME: N-(4-azanyl-1-fluoranyl-butan-2-yl)benzamide
MOLECULAR FORMULA: C11H15FN2O
MOLECULAR WEIGHT: 210.248003
SMILES: C1=CC=C(C=C1)C(=O)NC(CCN)CF
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Product OPENEYE NAME: N1-benzyl-4,4-difluoro-butane-1,3-diamine
CAS Name: 4,4-difluoro-N1-(phenylmethyl)butane-1,3-diamine
IUPAC NAME: 1-N-benzyl-4,4-difluorobutane-1,3-diamine
SYSTEMATIC NAME: 4,4-bis(fluoranyl)-N1-(phenylmethyl)butane-1,3-diamine
MOLECULAR FORMULA: C11H16F2N2
MOLECULAR WEIGHT: 214.254946
SMILES: C1=CC=C(C=C1)CNCCC(C(F)F)N
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Product OPENEYE NAME: 2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]propanedioic acid
CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethyl]propanedioic acid
IUPAC NAME: 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]propanedioic acid
SYSTEMATIC NAME: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]propanedioic acid
MOLECULAR FORMULA: C13H11NO6
MOLECULAR WEIGHT: 277.22954
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(=O)O)C(=O)O
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Product OPENEYE NAME: 3-(benzylamino)-4,4-difluoro-butan-1-ol
CAS Name: 4,4-difluoro-3-[(phenylmethyl)amino]-1-butanol
IUPAC NAME: 3-(benzylamino)-4,4-difluorobutan-1-ol
SYSTEMATIC NAME: 4,4-bis(fluoranyl)-3-[(phenylmethyl)amino]butan-1-ol
MOLECULAR FORMULA: C11H15F2NO
MOLECULAR WEIGHT: 215.239706
SMILES: C1=CC=C(C=C1)CNC(CCO)C(F)F
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