Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2-nitroanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H14N2O6
MOLECULAR WEIGHT: 354.31356
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H27N2O3+
MOLECULAR WEIGHT: 319.41858
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H26N2O3
MOLECULAR WEIGHT: 318.41064
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: [2-(3-ethylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-ethylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[(3-chloro-4-methyl-phenyl)carbamothioyl-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[(3-chloro-4-methylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H20ClN3OS
MOLECULAR WEIGHT: 361.8889
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC2=CC(=C(C=C2)C)Cl
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-(2-isopropyl-5-methyl-phenoxy)acetate
CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate
MOLECULAR FORMULA: C23H29NO5
MOLECULAR WEIGHT: 399.48006
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: methyl 1-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H27N4O4+
MOLECULAR WEIGHT: 387.45278
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H26N4O4
MOLECULAR WEIGHT: 386.44484
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H18FNO4
MOLECULAR WEIGHT: 355.359623
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-(2-phenylethylamino)ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCCC2=CC=CC=C2
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-(2-phenylethylamino)ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-(2-phenylethylamino)ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCCC2=CC=CC=C2
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(p-tolylsulfonylamino)acetate
CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C17H16N2O5S2
MOLECULAR WEIGHT: 392.44934
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3
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