Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (4-methoxycarbonylphenyl)methyl 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid (4-methoxycarbonylphenyl)methyl ester
IUPAC NAME: (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H19NO5S
MOLECULAR WEIGHT: 397.44426
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: [2-(2-fluorophenyl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-fluorophenyl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H18FNO4
MOLECULAR WEIGHT: 355.359623
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H20N2O4
MOLECULAR WEIGHT: 364.3945
SMILES: C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester
IUPAC NAME: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H20N4O4
MOLECULAR WEIGHT: 416.4293
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N
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Product OPENEYE NAME: [(3R)-2-oxotetrahydrofuran-3-yl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(3R)-2-oxo-3-oxolanyl] ester
IUPAC NAME: [(3R)-2-oxooxolan-3-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(3R)-2-oxidanylideneoxolan-3-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C16H15NO5S
MOLECULAR WEIGHT: 333.359
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H]3CCOC3=O
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Product OPENEYE NAME: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-benzoylbenzoate
SYSTEMATIC NAME: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H19NO5
MOLECULAR WEIGHT: 413.42206
SMILES: CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
IUPAC NAME: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H18N4O4
MOLECULAR WEIGHT: 378.38132
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3
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Product OPENEYE NAME: [(1R)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C23H27NO4
MOLECULAR WEIGHT: 381.46478
SMILES: C[C@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [(3S)-2-oxotetrahydrofuran-3-yl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester
IUPAC NAME: [(3S)-2-oxooxolan-3-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(3S)-2-oxidanylideneoxolan-3-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C16H15NO5S
MOLECULAR WEIGHT: 333.359
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H]3CCOC3=O
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Product OPENEYE NAME: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: CC1CCN(CC1)C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H16ClNO4S
MOLECULAR WEIGHT: 401.86334
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [2-(N-methylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(N-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(N-methylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N(C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C23H27NO4
MOLECULAR WEIGHT: 381.46478
SMILES: C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H16FNO4S
MOLECULAR WEIGHT: 385.408743
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H26N2O5
MOLECULAR WEIGHT: 374.43084
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: (2-morpholino-2-oxo-ethyl) 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester
IUPAC NAME: (2-morpholin-4-yl-2-oxoethyl) 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H20N2O5S
MOLECULAR WEIGHT: 376.4268
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N3CCOCC3
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Product OPENEYE NAME: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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