Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C21H33N2O3+
MOLECULAR WEIGHT: 361.49832
SMILES: C[C@H](C1=CC=C(C=C1)CC(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C21H32N2O3
MOLECULAR WEIGHT: 360.49038
SMILES: C[C@H](C1=CC=C(C=C1)CC(C)C)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H12F3NO4
MOLECULAR WEIGHT: 363.28739
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-phenylsulfanylpropanoate
CAS Name: 3-(phenylthio)propanoic 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] 3-phenylsulfanylpropanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylsulfanylpropanoate
MOLECULAR FORMULA: C18H23N3O3S
MOLECULAR WEIGHT: 361.45852
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)CCSC2=CC=CC=C2
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Product OPENEYE NAME: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dimethylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C21H33N2O3+
MOLECULAR WEIGHT: 361.49832
SMILES: C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C21H32N2O3
MOLECULAR WEIGHT: 360.49038
SMILES: C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: dimethyl-[2-[[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]ethyl]ammonium
CAS Name: dimethyl-[2-[[[(2Z)-2-(1-methyl-2-oxo-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[2-[[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]ethyl]azanium
SYSTEMATIC NAME: dimethyl-[2-[[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]ethyl]azanium
MOLECULAR FORMULA: C14H20N5OS+
MOLECULAR WEIGHT: 306.4065
SMILES: CN1C2=CC=CC=C2/C(=N/NC(=S)NCC[NH+](C)C)/C1=O
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Product OPENEYE NAME: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
IUPAC NAME: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C14H19N5OS
MOLECULAR WEIGHT: 305.39856
SMILES: CN1C2=CC=CC=C2/C(=N/NC(=S)NCCN(C)C)/C1=O
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H25N2O5+
MOLECULAR WEIGHT: 349.4015
SMILES: C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC
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