1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-[3-(6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-[(4-methoxyphenyl)thio]propyl]-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-[(4-methoxyphenyl)thio]propyl]-4-[3-(6-methoxy-4-quinolyl)propyl]nipecotic acid Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCN2CCC(C(C2)C(=O)O)CCCC3=C4C=C(C=CC4=NC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCN2CCC(C(C2)C(=O)O)CCCC3=C4C=C(C=CC4=NC=C3)OC

InChI

InChI=1S/C29H36N2O4S/c1-34-23-7-10-25(11-8-23)36-18-4-16-31-17-14-22(27(20-31)29(32)33)6-3-5-21-13-15-30-28-12-9-24(35-2)19-26(21)28/h7-13,15,19,22,27H,3-6,14,16-18,20H2,1-2H3,(H,32,33)