Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenoxy)acetate
CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenoxy)acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenoxy)ethanoate
MOLECULAR FORMULA: C22H23NO5
MOLECULAR WEIGHT: 381.42172
SMILES: CC1=C(C=C(C=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O)C
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Product OPENEYE NAME: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-(2-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-methoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H23N2O4+
MOLECULAR WEIGHT: 307.36482
SMILES: COC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2-methoxyanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-methoxyanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: COC1=CC=CC=C1NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: C[C@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H25N2O5+
MOLECULAR WEIGHT: 349.4015
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: [(1S)-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 [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
SYSTEMATIC NAME: [(2S)-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: methyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H20F3N2O3+
MOLECULAR WEIGHT: 345.33681
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H19F3N2O3
MOLECULAR WEIGHT: 344.32887
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[isopropylcarbamothioyl(methyl)amino]-N-(p-tolyl)acetamide
CAS Name: N-(4-methylphenyl)-2-[methyl-[(propan-2-ylamino)-sulfanylidenemethyl]amino]acetamide
IUPAC NAME: N-(4-methylphenyl)-2-[methyl(propan-2-ylcarbamothioyl)amino]acetamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2-[methyl(propan-2-ylcarbamothioyl)amino]ethanamide
MOLECULAR FORMULA: C14H21N3OS
MOLECULAR WEIGHT: 279.40104
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC(C)C
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Product OPENEYE NAME: methyl 1-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23N2O5+
MOLECULAR WEIGHT: 335.37492
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H25N2O5+
MOLECULAR WEIGHT: 349.4015
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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