Sunday, February 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-ethoxyphenoxy)ethyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid 2-(4-ethoxyphenoxy)ethyl ester
IUPAC NAME: 2-(4-ethoxyphenoxy)ethyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: 2-(4-ethoxyphenoxy)ethyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: 368.3799
SMILES: CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N-(2-methoxy-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-methoxy-4-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-methoxy-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18N4O4S
MOLECULAR WEIGHT: 410.44632
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC
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Product OPENEYE NAME: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H22N2O6
MOLECULAR WEIGHT: 374.38778
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC(=O)NCCC(C)C
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Product OPENEYE NAME: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: benzhydryl-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium
IUPAC NAME: benzhydryl-[(7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium
MOLECULAR FORMULA: C24H22NO3+
MOLECULAR WEIGHT: 372.43638
SMILES: C[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[[benzhydryl(methyl)amino]methyl]-7-hydroxy-chromen-2-one
CAS Name: 4-[[(diphenylmethyl)-methylamino]methyl]-7-hydroxy-1-benzopyran-2-one
IUPAC NAME: 4-[[benzhydryl(methyl)amino]methyl]-7-hydroxychromen-2-one
SYSTEMATIC NAME: 4-[[(diphenylmethyl)-methyl-amino]methyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C24H21NO3
MOLECULAR WEIGHT: 371.42844
SMILES: CN(CC1=CC(=O)OC2=C1C=CC(=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(2-fluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(2-fluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C19H15FN2OS
MOLECULAR WEIGHT: 338.398603
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: benzhydryl-[2-(ethylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C19H24N3O2+
MOLECULAR WEIGHT: 326.41276
SMILES: CCNC(=O)NC(=O)C[NH+](C)C(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(ethylcarbamoyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(ethylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(ethylcarbamoyl)ethanamide
MOLECULAR FORMULA: C19H23N3O2
MOLECULAR WEIGHT: 325.40482
SMILES: CCNC(=O)NC(=O)CN(C)C(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: (2-benzamido-2-oxo-ethyl) 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-benzamido-2-oxoethyl) ester
IUPAC NAME: (2-benzamido-2-oxoethyl) 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-benzamido-2-oxidanylidene-ethyl) 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15NO6
MOLECULAR WEIGHT: 365.3362
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)[C@@H]2CCCO2
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