Friday, July 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [(E)-C-(4-methoxyphenyl)-N-(4-methyltriazol-1-yl)carbonimidoyl] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [(E)-(4-methoxyphenyl)-[(4-methyl-1-triazolyl)imino]methyl] ester
IUPAC NAME: [(E)-C-(4-methoxyphenyl)-N-(4-methyltriazol-1-yl)carbonimidoyl] 4-methoxybenzoate
SYSTEMATIC NAME: [(E)-C-(4-methoxyphenyl)-N-(4-methyl-1,2,3-triazol-1-yl)carbonimidoyl] 4-methoxybenzoate
MOLECULAR FORMULA: C19H18N4O4
MOLECULAR WEIGHT: 366.37062
SMILES: CC1=CN(N=N1)/N=C(\C2=CC=C(C=C2)OC)/OC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [(E)-N-(4-methyl-5-phenyl-triazol-1-yl)-C-phenyl-carbonimidoyl] benzoate
CAS Name: benzoic acid [(E)-(4-methyl-5-phenyl-1-triazolyl)imino-phenylmethyl] ester
IUPAC NAME: [(E)-N-(4-methyl-5-phenyltriazol-1-yl)-C-phenylcarbonimidoyl] benzoate
SYSTEMATIC NAME: [(E)-N-(4-methyl-5-phenyl-1,2,3-triazol-1-yl)-C-phenyl-carbonimidoyl] benzoate
MOLECULAR FORMULA: C23H18N4O2
MOLECULAR WEIGHT: 382.41462
SMILES: CC1=C(N(N=N1)/N=C(\C2=CC=CC=C2)/OC(=O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [(E)-C-(4-chlorophenyl)-N-(4-methyl-5-phenyl-triazol-1-yl)carbonimidoyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [(E)-(4-chlorophenyl)-[(4-methyl-5-phenyl-1-triazolyl)imino]methyl] ester
IUPAC NAME: [(E)-C-(4-chlorophenyl)-N-(4-methyl-5-phenyltriazol-1-yl)carbonimidoyl] 4-chlorobenzoate
SYSTEMATIC NAME: [(E)-C-(4-chlorophenyl)-N-(4-methyl-5-phenyl-1,2,3-triazol-1-yl)carbonimidoyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C23H16Cl2N4O2
MOLECULAR WEIGHT: 451.30474
SMILES: CC1=C(N(N=N1)/N=C(\C2=CC=C(C=C2)Cl)/OC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: [(E)-N-[5-(4-methoxyphenyl)-4-methyl-triazol-1-yl]-C-phenyl-carbonimidoyl] benzoate
CAS Name: benzoic acid [(E)-[5-(4-methoxyphenyl)-4-methyl-1-triazolyl]imino-phenylmethyl] ester
IUPAC NAME: [(E)-N-[5-(4-methoxyphenyl)-4-methyltriazol-1-yl]-C-phenylcarbonimidoyl] benzoate
SYSTEMATIC NAME: [(E)-N-[5-(4-methoxyphenyl)-4-methyl-1,2,3-triazol-1-yl]-C-phenyl-carbonimidoyl] benzoate
MOLECULAR FORMULA: C24H20N4O3
MOLECULAR WEIGHT: 412.4406
SMILES: CC1=C(N(N=N1)/N=C(\C2=CC=CC=C2)/OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: [(E)-N-[5-(4-bromophenyl)-4-methyl-triazol-1-yl]-C-phenyl-carbonimidoyl] benzoate
CAS Name: benzoic acid [(E)-[5-(4-bromophenyl)-4-methyl-1-triazolyl]imino-phenylmethyl] ester
IUPAC NAME: [(E)-N-[5-(4-bromophenyl)-4-methyltriazol-1-yl]-C-phenylcarbonimidoyl] benzoate
SYSTEMATIC NAME: [(E)-N-[5-(4-bromophenyl)-4-methyl-1,2,3-triazol-1-yl]-C-phenyl-carbonimidoyl] benzoate
MOLECULAR FORMULA: C23H17BrN4O2
MOLECULAR WEIGHT: 461.31068
SMILES: CC1=C(N(N=N1)/N=C(\C2=CC=CC=C2)/OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: [(Z)-N-(4,5-dimethyltriazol-1-yl)-C-(p-tolyl)carbonimidoyl] benzoate
CAS Name: benzoic acid [(Z)-(4,5-dimethyl-1-triazolyl)imino-(4-methylphenyl)methyl] ester
IUPAC NAME: [(Z)-N-(4,5-dimethyltriazol-1-yl)-C-(4-methylphenyl)carbonimidoyl] benzoate
SYSTEMATIC NAME: [(Z)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-(4-methylphenyl)carbonimidoyl] benzoate
MOLECULAR FORMULA: C19H18N4O2
MOLECULAR WEIGHT: 334.37182
SMILES: CC1=CC=C(C=C1)/C(=N/N2C(=C(N=N2)C)C)/OC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(Z)-N-(4,5-dimethyltriazol-1-yl)-C-(4-methoxyphenyl)carbonimidoyl] benzoate
CAS Name: benzoic acid [(Z)-(4,5-dimethyl-1-triazolyl)imino-(4-methoxyphenyl)methyl] ester
IUPAC NAME: [(Z)-N-(4,5-dimethyltriazol-1-yl)-C-(4-methoxyphenyl)carbonimidoyl] benzoate
SYSTEMATIC NAME: [(Z)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-(4-methoxyphenyl)carbonimidoyl] benzoate
MOLECULAR FORMULA: C19H18N4O3
MOLECULAR WEIGHT: 350.37122
SMILES: CC1=C(N(N=N1)/N=C(/C2=CC=C(C=C2)OC)\OC(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyltriazol-1-yl)carbonimidoyl] benzoate
CAS Name: benzoic acid [(Z)-(4-chlorophenyl)-[(4,5-dimethyl-1-triazolyl)imino]methyl] ester
IUPAC NAME: [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyltriazol-1-yl)carbonimidoyl] benzoate
SYSTEMATIC NAME: [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)carbonimidoyl] benzoate
MOLECULAR FORMULA: C18H15ClN4O2
MOLECULAR WEIGHT: 354.7903
SMILES: CC1=C(N(N=N1)/N=C(/C2=CC=C(C=C2)Cl)\OC(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: N-[4-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-2,5-dimethyl-pyrazol-3-yl]benzamide
CAS Name: N-[4-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]benzamide
IUPAC NAME: N-[4-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,5-dimethylpyrazol-3-yl]benzamide
SYSTEMATIC NAME: N-[4-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-2,5-dimethyl-pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C19H21N5O2
MOLECULAR WEIGHT: 351.40234
SMILES: CCN1C(=CC(=N1)C)C(=O)C2=C(N(N=C2C)C)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: diethyl (3S,4R)-5-oxo-2,2,2-triphenyl-4,6-dihydro-3H-oxaphosphinino[5,6-c]quinoline-3,4-dicarboxylate
CAS Name: (3S,4R)-5-oxo-2,2,2-triphenyl-4,6-dihydro-3H-oxaphosphorino[5,6-c]quinoline-3,4-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl (3S,4R)-5-oxo-2,2,2-triphenyl-4,6-dihydro-3H-oxaphosphinino[5,6-c]quinoline-3,4-dicarboxylate
SYSTEMATIC NAME: diethyl (3S,4R)-5-oxidanylidene-2,2,2-triphenyl-4,6-dihydro-3H-[1,2]oxaphosphinino[5,6-c]quinoline-3,4-dicarboxylate
MOLECULAR FORMULA: C35H32NO6P
MOLECULAR WEIGHT: 593.605441
SMILES: CCOC(=O)[C@@H]1[C@H](P(OC2=C1C(=O)NC3=CC=CC=C32)(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC
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Product OPENEYE NAME: diethyl (3S,4R)-6-methyl-5-oxo-2,2,2-triphenyl-3,4-dihydrooxaphosphinino[5,6-c]quinoline-3,4-dicarboxylate
CAS Name: (3S,4R)-6-methyl-5-oxo-2,2,2-triphenyl-3,4-dihydrooxaphosphorino[5,6-c]quinoline-3,4-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl (3S,4R)-6-methyl-5-oxo-2,2,2-triphenyl-3,4-dihydrooxaphosphinino[5,6-c]quinoline-3,4-dicarboxylate
SYSTEMATIC NAME: diethyl (3S,4R)-6-methyl-5-oxidanylidene-2,2,2-triphenyl-3,4-dihydro-[1,2]oxaphosphinino[5,6-c]quinoline-3,4-dicarboxylate
MOLECULAR FORMULA: C36H34NO6P
MOLECULAR WEIGHT: 607.632021
SMILES: CCOC(=O)[C@@H]1[C@H](P(OC2=C1C(=O)N(C3=CC=CC=C32)C)(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC
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Product OPENEYE NAME: [(2R,3R,5S,6S)-3,6-bis[[(Z)-hex-3-enoxy]carbonyloxy]-5-[[(Z)-hex-3-enoxy]carbonyloxymethyl]-1,4-dioxan-2-yl]methyl [(Z)-hex-3-enyl] carbonate
CAS Name: carbonic acid [(2R,3R,5S,6S)-3,6-bis[[(Z)-hex-3-enoxy]-oxomethoxy]-5-[[[(Z)-hex-3-enoxy]-oxomethoxy]methyl]-1,4-dioxan-2-yl]methyl [(Z)-hex-3-enyl] ester
IUPAC NAME: [(2R,3R,5S,6S)-3,6-bis[[(Z)-hex-3-enoxy]carbonyloxy]-5-[[(Z)-hex-3-enoxy]carbonyloxymethyl]-1,4-dioxan-2-yl]methyl [(Z)-hex-3-enyl] carbonate
SYSTEMATIC NAME: [(2R,3R,5S,6S)-3,6-bis[[(Z)-hex-3-enoxy]carbonyloxy]-5-[[(Z)-hex-3-enoxy]carbonyloxymethyl]-1,4-dioxan-2-yl]methyl [(Z)-hex-3-enyl] carbonate
MOLECULAR FORMULA: C34H52O14
MOLECULAR WEIGHT: 684.76828
SMILES: CC/C=C\CCOC(=O)OC[C@H]1O[C@H]([C@@H](O[C@@H]1OC(=O)OCC/C=C\CC)COC(=O)OCC/C=C\CC)OC(=O)OCC/C=C\CC
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Product OPENEYE NAME: [(2R,3R,5S,6S)-3,6-bis[(2-isopropyl-5-methyl-cyclohexoxy)carbonyloxy]-5-[(2-isopropyl-5-methyl-cyclohexoxy)carbonyloxymethyl]-1,4-dioxan-2-yl]methyl (2-isopropyl-5-methyl-cyclohexyl) carbonate
CAS Name: carbonic acid [(2R,3R,5S,6S)-3,6-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethoxy]-5-[[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethoxy]methyl]-1,4-dioxan-2-yl]methyl (5-methyl-2-propan-2-ylcyclohexyl) ester
IUPAC NAME: [(2R,3R,5S,6S)-3,6-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyloxy]-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyloxymethyl]-1,4-dioxan-2-yl]methyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SYSTEMATIC NAME: [(2R,3R,5S,6S)-3,6-bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyloxy]-5-[(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyloxymethyl]-1,4-dioxan-2-yl]methyl (5-methyl-2-propan-2-yl-cyclohexyl) carbonate
MOLECULAR FORMULA: C50H84O14
MOLECULAR WEIGHT: 909.19356
SMILES: CC1CCC(C(C1)OC(=O)OC[C@@H]2[C@H](O[C@H]([C@@H](O2)OC(=O)OC3CC(CCC3C(C)C)C)COC(=O)OC4CC(CCC4C(C)C)C)OC(=O)OC5CC(CCC5C(C)C)C)C(C)C
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Product OPENEYE NAME: [(2R,3R,5S,6S)-3,6-bis(phenoxycarbonyloxy)-5-(phenoxycarbonyloxymethyl)-1,4-dioxan-2-yl]methyl phenyl carbonate
CAS Name: carbonic acid [(2R,3R,5S,6S)-3,6-bis[oxo(phenoxy)methoxy]-5-[[oxo(phenoxy)methoxy]methyl]-1,4-dioxan-2-yl]methyl phenyl ester
IUPAC NAME: [(2R,3R,5S,6S)-3,6-bis(phenoxycarbonyloxy)-5-(phenoxycarbonyloxymethyl)-1,4-dioxan-2-yl]methyl phenyl carbonate
SYSTEMATIC NAME: [(2R,3R,5S,6S)-3,6-bis(phenoxycarbonyloxy)-5-(phenoxycarbonyloxymethyl)-1,4-dioxan-2-yl]methyl phenyl carbonate
MOLECULAR FORMULA: C34H28O14
MOLECULAR WEIGHT: 660.57772
SMILES: C1=CC=C(C=C1)OC(=O)OC[C@@H]2[C@H](O[C@H]([C@@H](O2)OC(=O)OC3=CC=CC=C3)COC(=O)OC4=CC=CC=C4)OC(=O)OC5=CC=CC=C5
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Product OPENEYE NAME: [(2R,3R,5S,6S)-3,6-bis[(2-methoxy-4-methyl-phenoxy)carbonyloxy]-5-[(2-methoxy-4-methyl-phenoxy)carbonyloxymethyl]-1,4-dioxan-2-yl]methyl (2-methoxy-4-methyl-phenyl) carbonate
CAS Name: carbonic acid [(2R,3R,5S,6S)-3,6-bis[(2-methoxy-4-methylphenoxy)-oxomethoxy]-5-[[(2-methoxy-4-methylphenoxy)-oxomethoxy]methyl]-1,4-dioxan-2-yl]methyl (2-methoxy-4-methylphenyl) ester
IUPAC NAME: [(2R,3R,5S,6S)-3,6-bis[(2-methoxy-4-methylphenoxy)carbonyloxy]-5-[(2-methoxy-4-methylphenoxy)carbonyloxymethyl]-1,4-dioxan-2-yl]methyl (2-methoxy-4-methylphenyl) carbonate
SYSTEMATIC NAME: [(2R,3R,5S,6S)-3,6-bis[(2-methoxy-4-methyl-phenoxy)carbonyloxy]-5-[(2-methoxy-4-methyl-phenoxy)carbonyloxymethyl]-1,4-dioxan-2-yl]methyl (2-methoxy-4-methyl-phenyl) carbonate
MOLECULAR FORMULA: C42H44O18
MOLECULAR WEIGHT: 836.78796
SMILES: CC1=CC(=C(C=C1)OC(=O)OC[C@@H]2[C@H](O[C@H]([C@@H](O2)OC(=O)OC3=C(C=C(C=C3)C)OC)COC(=O)OC4=C(C=C(C=C4)C)OC)OC(=O)OC5=C(C=C(C=C5)C)OC)OC
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Product OPENEYE NAME: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-imidazole-4-carboxamide
CAS Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-methyl-4-imidazolecarboxamide
IUPAC NAME: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methyl-imidazole-4-carboxamide
MOLECULAR FORMULA: C10H16N4O5
MOLECULAR WEIGHT: 272.25784
SMILES: CC1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N
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Product OPENEYE NAME: 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1H-imidazo[4,5-d]triazin-4-one
CAS Name: 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-1H-imidazo[4,5-d]triazin-4-one
IUPAC NAME: 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-imidazo[4,5-d]triazin-4-one
SYSTEMATIC NAME: 5-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methyl-1H-imidazo[4,5-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: CC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)N=NN2
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