Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-(3-ethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-ethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-ethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: CCC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(3-ethylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3-ethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-ethylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: CCC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24FN2O3+
MOLECULAR WEIGHT: 323.382463
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCCC2=CC=C(C=C2)F
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Product OPENEYE NAME: methyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23FN2O3
MOLECULAR WEIGHT: 322.374523
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCCC2=CC=C(C=C2)F
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Product OPENEYE NAME: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[methyl-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H27N3OS
MOLECULAR WEIGHT: 333.49148
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: (2S)-2-(5-fluoro-2-nitro-phenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2S)-2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2S)-2-(5-fluoranyl-2-nitro-phenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C15H17FN4O4
MOLECULAR WEIGHT: 336.318283
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC2=C(C=CC(=C2)F)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 1-[(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H25N2O4+
MOLECULAR WEIGHT: 333.4021
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H24N2O4
MOLECULAR WEIGHT: 332.39416
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(1R)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C25H21NO5
MOLECULAR WEIGHT: 415.43794
SMILES: COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 1-allyl-3-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]-3-prop-2-enylthiourea
IUPAC NAME: 1-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C15H16N4OS
MOLECULAR WEIGHT: 300.37874
SMILES: C=CCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC=C
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