Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-(2-anilino-2-oxo-ethyl)piperidine-4-carboxylate
CAS Name: 1-(2-anilino-2-oxoethyl)-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-(2-anilino-2-oxoethyl)piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: methyl 1-[2-(benzylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(benzylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H23N2O3+
MOLECULAR WEIGHT: 291.36542
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: methyl 1-[2-(benzylamino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(benzylamino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: [2-oxo-2-(2-oxooxazolidin-3-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(2-oxo-3-oxazolidinyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C18H22N2O6
MOLECULAR WEIGHT: 362.37708
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCOC2=O
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Product OPENEYE NAME: phenacyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid phenacyl ester
IUPAC NAME: phenacyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: phenacyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C20H31N3O2S
MOLECULAR WEIGHT: 377.54404
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C
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Product OPENEYE NAME: methyl 1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H20FN2O3+
MOLECULAR WEIGHT: 295.329303
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: methyl 1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19FN2O3
MOLECULAR WEIGHT: 294.321363
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C20H31N3O2S
MOLECULAR WEIGHT: 377.54404
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C
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Product OPENEYE NAME: [2-(3-bromophenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3-bromophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13BrO4
MOLECULAR WEIGHT: 373.19742
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: [2-(3-thienyl)thiazol-4-yl]methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester
IUPAC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C21H22N2O3S2
MOLECULAR WEIGHT: 414.54098
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3
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Product OPENEYE NAME: methyl 1-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H32N3O5S+
MOLECULAR WEIGHT: 426.55018
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: methyl 1-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H31N3O5S
MOLECULAR WEIGHT: 425.54224
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C20H31N3O2S
MOLECULAR WEIGHT: 377.54404
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[2,4,5-tris(chloranyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H18Cl3N2O3+
MOLECULAR WEIGHT: 380.67402
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[2,4,5-tris(chloranyl)phenyl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H17Cl3N2O3
MOLECULAR WEIGHT: 379.66608
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C20H31N3O2S
MOLECULAR WEIGHT: 377.54404
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C
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Product OPENEYE NAME: [2-(2-fluorophenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13FO4
MOLECULAR WEIGHT: 312.291823
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester
IUPAC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C24H25FN2O4
MOLECULAR WEIGHT: 424.464703
SMILES: CC1=C(ON=C1COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[(4-hexoxybenzoyl)amino]thiourea
CAS Name: 1-(4-chlorophenyl)-3-[[(4-hexoxyphenyl)-oxomethyl]amino]thiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-[(4-hexoxybenzoyl)amino]thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(4-hexoxyphenyl)carbonylamino]thiourea
MOLECULAR FORMULA: C20H24ClN3O2S
MOLECULAR WEIGHT: 405.94146
SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl
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