Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24BrN2O3+
MOLECULAR WEIGHT: 384.28806
SMILES: C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23BrN2O3
MOLECULAR WEIGHT: 383.28012
SMILES: C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-methyl-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-methyl-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-methyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-methyl-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C15H14N4OS2
MOLECULAR WEIGHT: 330.42786
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NC)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24BrN2O3+
MOLECULAR WEIGHT: 384.28806
SMILES: C[C@H](C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23BrN2O3
MOLECULAR WEIGHT: 383.28012
SMILES: C[C@H](C1=CC=C(C=C1)Br)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-butyl-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-butyl-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-butyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-butyl-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C18H20N4OS2
MOLECULAR WEIGHT: 372.5076
SMILES: CCCCNC(=S)NN1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23Cl2N2O3+
MOLECULAR WEIGHT: 374.28212
SMILES: C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22Cl2N2O3
MOLECULAR WEIGHT: 373.27418
SMILES: C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(2,4-dichloroanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13Cl2NO4
MOLECULAR WEIGHT: 378.20612
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 1-ethyl-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-ethyl-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-ethyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-ethyl-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C16H16N4OS2
MOLECULAR WEIGHT: 344.45444
SMILES: CCNC(=S)NN1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13ClFNO4
MOLECULAR WEIGHT: 361.751523
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23Cl2N2O3+
MOLECULAR WEIGHT: 374.28212
SMILES: C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22Cl2N2O3
MOLECULAR WEIGHT: 373.27418
SMILES: C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-(p-tolylsulfanyl)propanoate
CAS Name: 3-[(4-methylphenyl)thio]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-(4-methylphenyl)sulfanylpropanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-(4-methylphenyl)sulfanylpropanoate
MOLECULAR FORMULA: C22H23NO4S
MOLECULAR WEIGHT: 397.48732
SMILES: CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-(4-fluorophenyl)-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C20H15FN4OS2
MOLECULAR WEIGHT: 410.487703
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NC3=CC=C(C=C3)F)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[2-[(cyclopentylamino)-oxomethyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C21H30N3O4+
MOLECULAR WEIGHT: 388.4806
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3
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Product OPENEYE NAME: methyl 1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[2-[(cyclopentylamino)-oxomethyl]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C21H29N3O4
MOLECULAR WEIGHT: 387.47266
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3
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Product OPENEYE NAME: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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