Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenoxy)acetate
CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenoxy)ethanoate
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CC1=C(C=C(C=C1)OCC(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)C
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Product OPENEYE NAME: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
IUPAC NAME: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H15NO6
MOLECULAR WEIGHT: 365.3362
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4
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Product OPENEYE NAME: 2-[(2-fluorophenyl)carbamothioyl-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[(2-fluoroanilino)-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[(2-fluorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(2-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=CC=C2F
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Product OPENEYE NAME: [2-[4-(difluoromethoxy)anilino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15F2NO5
MOLECULAR WEIGHT: 375.322906
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)F
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Product OPENEYE NAME: [2-(3-thienyl)thiazol-4-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester
IUPAC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(3,4-dimethylphenoxy)acetate
SYSTEMATIC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(3,4-dimethylphenoxy)ethanoate
MOLECULAR FORMULA: C18H17NO3S2
MOLECULAR WEIGHT: 359.46248
SMILES: CC1=C(C=C(C=C1)OCC(=O)OCC2=CSC(=N2)C3=CSC=C3)C
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Product OPENEYE NAME: methyl 1-[2-(2,4-dichloroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2,4-dichloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H19Cl2N2O3+
MOLECULAR WEIGHT: 346.22896
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: methyl 1-[2-(2,4-dichloroanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,4-dichloroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H18Cl2N2O3
MOLECULAR WEIGHT: 345.22102
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 2-[(3-chloro-2-methyl-phenyl)carbamothioyl-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[(3-chloro-2-methylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H20ClN3OS
MOLECULAR WEIGHT: 361.8889
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC2=C(C(=CC=C2)Cl)C
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Product OPENEYE NAME: methyl 1-[2-(2,3-dichloroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,3-dichloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H19Cl2N2O3+
MOLECULAR WEIGHT: 346.22896
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl
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Product OPENEYE NAME: methyl 1-[2-(2,3-dichloroanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,3-dichloroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,3-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H18Cl2N2O3
MOLECULAR WEIGHT: 345.22102
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl
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Product OPENEYE NAME: methyl 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H30N3O5S+
MOLECULAR WEIGHT: 412.5236
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H29N3O5S
MOLECULAR WEIGHT: 411.51566
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: (2-phenylthiazol-4-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (2-phenyl-4-thiazolyl)methyl ester
IUPAC NAME: (2-phenyl-1,3-thiazol-4-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (2-phenyl-1,3-thiazol-4-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H15NO3S
MOLECULAR WEIGHT: 349.403
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 1-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H19ClFN2O3+
MOLECULAR WEIGHT: 329.774363
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)F
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Product OPENEYE NAME: methyl 1-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H18ClFN2O3
MOLECULAR WEIGHT: 328.766423
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)F
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