Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 2-[(4-fluorophenyl)carbamothioyl-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[(4-fluorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)carbamothioyl-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C17H18FN3OS
MOLECULAR WEIGHT: 331.407723
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: methyl 1-[2-(2,4-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: methyl 1-[2-(2,4-dimethylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CAS Name: 2-(3,4-dimethylphenoxy)acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dimethylphenoxy)acetate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dimethylphenoxy)ethanoate
MOLECULAR FORMULA: C18H17NO4S
MOLECULAR WEIGHT: 343.39688
SMILES: CC1=C(C=C(C=C1)OCC(=O)OCC2=NOC(=C2)C3=CC=CS3)C
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Product OPENEYE NAME: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CC1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 2-[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C17H27N4O2S+
MOLECULAR WEIGHT: 351.48688
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCC[NH+]2CCOCC2
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Product OPENEYE NAME: 2-[methyl(2-morpholinoethylcarbamothioyl)amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl(2-morpholin-4-ylethylcarbamothioyl)amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl(2-morpholin-4-ylethylcarbamothioyl)amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C17H26N4O2S
MOLECULAR WEIGHT: 350.47894
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCCN2CCOCC2
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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