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

Systemtic Name: 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-quinolin-3-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[(1-cyclohexylethylamino)-oxomethyl]-2-phenyl-3-quinolinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenylquinolin-3-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]isonipecotic acid Formula: C31H37N3O3 MolecularWeight: 499.64378

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O3/c1-21(22-10-4-2-5-11-22)32-30(35)28-25-14-8-9-15-27(25)33-29(23-12-6-3-7-13-23)26(28)20-34-18-16-24(17-19-34)31(36)37/h3,6-9,12-15,21-22,24H,2,4-5,10-11,16-20H2,1H3,(H,32,35)(H,36,37)