methyl 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-quinolin-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-quinolin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(1-cyclohexylethylamino)-oxomethyl]-2-phenyl-3-quinolinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenylquinolin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]isonipecotic acid methyl ester Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)C(=O)OC

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)C(=O)OC

InChI

InChI=1S/C32H39N3O3/c1-22(23-11-5-3-6-12-23)33-31(36)29-26-15-9-10-16-28(26)34-30(24-13-7-4-8-14-24)27(29)21-35-19-17-25(18-20-35)32(37)38-2/h4,7-10,13-16,22-23,25H,3,5-6,11-12,17-21H2,1-2H3,(H,33,36)