Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H28FN3O4
MOLECULAR WEIGHT: 393.452423
SMILES: CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-oxo-2-(2-oxooxazolidin-3-yl)ethyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate
CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]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-methyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C17H15NO8
MOLECULAR WEIGHT: 361.3029
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)N3CCOC3=O
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-isopropoxypropyl)thiourea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-propan-2-yloxypropyl)thiourea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-propan-2-yloxypropyl)thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-propan-2-yloxypropyl)thiourea
MOLECULAR FORMULA: C15H22N2O3S
MOLECULAR WEIGHT: 310.41178
SMILES: CC(C)OCCCNC(=S)NCC1=CC2=C(C=C1)OCO2
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Product OPENEYE NAME: methyl 1-[2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C23H33N2O4+
MOLECULAR WEIGHT: 401.51912
SMILES: CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C23H32N2O4
MOLECULAR WEIGHT: 400.51118
SMILES: CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [2-(4-ethoxyanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-ethoxyanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H19ClF3N2O3+
MOLECULAR WEIGHT: 379.78187
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
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Product OPENEYE NAME: methyl 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H18ClF3N2O3
MOLECULAR WEIGHT: 378.77393
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
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Product OPENEYE NAME: 1-(2-chloro-5-nitro-phenyl)-3-(3-isopropoxypropyl)thiourea
CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(3-propan-2-yloxypropyl)thiourea
IUPAC NAME: 1-(2-chloro-5-nitrophenyl)-3-(3-propan-2-yloxypropyl)thiourea
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-3-(3-propan-2-yloxypropyl)thiourea
MOLECULAR FORMULA: C13H18ClN3O3S
MOLECULAR WEIGHT: 331.81832
SMILES: CC(C)OCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl
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Product OPENEYE NAME: methyl 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-chloranyl-4-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=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: methyl 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H18ClFN2O3
MOLECULAR WEIGHT: 328.766423
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: methyl 1-[2-(3-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-acetylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-acetylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23N2O4+
MOLECULAR WEIGHT: 319.37552
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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