Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-(3-phenylpropylamino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H27N2O3+
MOLECULAR WEIGHT: 319.41858
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCCCC2=CC=CC=C2
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-(3-phenylpropylamino)ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H26N2O3
MOLECULAR WEIGHT: 318.41064
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCCCC2=CC=CC=C2
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Product OPENEYE NAME: methyl 1-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23N2O5+
MOLECULAR WEIGHT: 335.37492
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16FNO4
MOLECULAR WEIGHT: 341.333043
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: methyl 1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-acetylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-acetylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23N2O4+
MOLECULAR WEIGHT: 319.37552
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-acetylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(p-tolylsulfonylamino)acetate
CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H24N4O5S
MOLECULAR WEIGHT: 408.47196
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: methyl 1-[2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H25N2O5+
MOLECULAR WEIGHT: 349.4015
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13ClN2O6
MOLECULAR WEIGHT: 388.75862
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: dimethyl-[2-[[methyl-[2-(4-methylanilino)-2-oxo-ethyl]carbamothioyl]amino]ethyl]ammonium
CAS Name: dimethyl-[2-[[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[2-[[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamothioyl]amino]ethyl]azanium
SYSTEMATIC NAME: dimethyl-[2-[[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioyl]amino]ethyl]azanium
MOLECULAR FORMULA: C15H25N4OS+
MOLECULAR WEIGHT: 309.4502
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCC[NH+](C)C
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Product OPENEYE NAME: 2-[2-(dimethylamino)ethylcarbamothioyl-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[[2-(dimethylamino)ethylamino]-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[2-(dimethylamino)ethylcarbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethylcarbamothioyl-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C15H24N4OS
MOLECULAR WEIGHT: 308.44226
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCCN(C)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(p-tolylsulfonylamino)acetate
CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H24N4O5S
MOLECULAR WEIGHT: 408.47196
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: methyl 1-[2-(4-ethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-ethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O4+
MOLECULAR WEIGHT: 321.3914
SMILES: CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-ethoxyanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-ethoxyanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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