4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxylic acid Openeye Name: 4-[3-(6-methoxy-4-quinolyl)propyl]-1-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(6-methoxy-4-quinolinyl)propyl]-1-[2-[(4-methylphenyl)thio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxylic acid Traditional Name: 4-[3-(6-methoxy-4-quinolyl)propyl]-1-[2-(p-tolylthio)ethyl]nipecotic acid Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCC(C(C2)C(=O)O)CCCC3=C4C=C(C=CC4=NC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCC(C(C2)C(=O)O)CCCC3=C4C=C(C=CC4=NC=C3)OC

InChI

InChI=1S/C28H34N2O3S/c1-20-6-9-24(10-7-20)34-17-16-30-15-13-22(26(19-30)28(31)32)5-3-4-21-12-14-29-27-11-8-23(33-2)18-25(21)27/h6-12,14,18,22,26H,3-5,13,15-17,19H2,1-2H3,(H,31,32)