Tuesday, March 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]-3-(2-morpholinoethyl)thiourea
CAS Name: 1-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]-3-[2-(4-morpholinyl)ethyl]thiourea
IUPAC NAME: 1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
MOLECULAR FORMULA: C16H21N5O2S
MOLECULAR WEIGHT: 347.43524
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NCCN3CCOCC3)/C1=O
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Product OPENEYE NAME: methyl 1-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22BrN2O3+
MOLECULAR WEIGHT: 370.26148
SMILES: CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)Br
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Product OPENEYE NAME: methyl 1-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21BrN2O3
MOLECULAR WEIGHT: 369.25354
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC)Br
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Product OPENEYE NAME: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)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-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C23H18FNO4
MOLECULAR WEIGHT: 391.391723
SMILES: CC1=C(ON=C1COC(=O)COC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: methyl 1-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[[2-(2-chlorophenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H20ClN2O2S+
MOLECULAR WEIGHT: 351.8709
SMILES: COC(=O)C1CC[NH+](CC1)CC2=CSC(=N2)C3=CC=CC=C3Cl
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Product OPENEYE NAME: methyl 1-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]piperidine-4-carboxylate
CAS Name: 1-[[2-(2-chlorophenyl)-4-thiazolyl]methyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H19ClN2O2S
MOLECULAR WEIGHT: 350.86296
SMILES: COC(=O)C1CCN(CC1)CC2=CSC(=N2)C3=CC=CC=C3Cl
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24ClN2O3+
MOLECULAR WEIGHT: 339.83706
SMILES: C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23ClN2O3
MOLECULAR WEIGHT: 338.82912
SMILES: C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-(2-fluorophenyl)-3-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-(2-fluorophenyl)-3-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C16H13FN4OS
MOLECULAR WEIGHT: 328.364023
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NC3=CC=CC=C3F)/C1=O
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24ClN2O3+
MOLECULAR WEIGHT: 339.83706
SMILES: C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23ClN2O3
MOLECULAR WEIGHT: 338.82912
SMILES: C[C@H](C1=CC=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dimethylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-phenylsulfanylpropanoate
CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-phenylsulfanylpropanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-phenylsulfanylpropanoate
MOLECULAR FORMULA: C21H21NO4S
MOLECULAR WEIGHT: 383.46074
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)COC(=O)CCSC3=CC=CC=C3
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