Tuesday, March 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[2-[oxo-[[(1R)-1-phenylethyl]amino]methyl]anilino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C24H29N3O4
MOLECULAR WEIGHT: 423.50476
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: ethyl 4-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate
CAS Name: 4-(4-methylphenyl)-2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H24N2O3S2
MOLECULAR WEIGHT: 404.54616
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC[C@H]3CCCO3
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Product OPENEYE NAME: methyl 1-[(Z)-2-cyano-1-(3-nitrophenyl)vinyl]piperidine-4-carboxylate
CAS Name: 1-[(Z)-2-cyano-1-(3-nitrophenyl)ethenyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(Z)-2-cyano-1-(3-nitrophenyl)ethenyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(Z)-2-cyano-1-(3-nitrophenyl)ethenyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H17N3O4
MOLECULAR WEIGHT: 315.32388
SMILES: COC(=O)C1CCN(CC1)/C(=C\C#N)/C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-(cyclopropylcarbamothioylamino)-4-(p-tolyl)thiophene-3-carboxylate
CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(cyclopropylcarbamothioylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(cyclopropylcarbamothioylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C18H20N2O2S2
MOLECULAR WEIGHT: 360.4936
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC3CC3
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Product OPENEYE NAME: methyl 1-[(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O4+
MOLECULAR WEIGHT: 321.3914
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)OC)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O4+
MOLECULAR WEIGHT: 321.3914
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)OC)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(3-methoxyanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methoxyanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H17NO5
MOLECULAR WEIGHT: 339.34198
SMILES: COC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
IUPAC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C12H19N4O2S2+
MOLECULAR WEIGHT: 315.43486
SMILES: C1COCC[NH+]1CCNC(=S)NNC(=O)C2=CC=CS2
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Product OPENEYE NAME: 1-(2-morpholinoethyl)-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
IUPAC NAME: 1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ylethyl)-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C12H18N4O2S2
MOLECULAR WEIGHT: 314.42692
SMILES: C1COCCN1CCNC(=S)NNC(=O)C2=CC=CS2
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