4-[3-[3-(hydroxymethyl)-6-methoxy-quinolin-4-yl]propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-[3-(hydroxymethyl)-6-methoxy-quinolin-4-yl]propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-[3-(hydroxymethyl)-6-methoxy-4-quinolyl]propyl]-1-[2-(2-pyridylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[3-[3-(hydroxymethyl)-6-methoxy-4-quinolinyl]propyl]-1-[2-(2-pyridinylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(6-methoxy-3-methylol-4-quinolyl)propyl]-1-[2-(2-pyridylthio)ethyl]isonipecotic acid Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)CO)CCCC3(CCN(CC3)CCSC4=CC=CC=N4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)CO)CCCC3(CCN(CC3)CCSC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C27H33N3O4S/c1-34-21-7-8-24-23(17-21)22(20(19-31)18-29-24)5-4-9-27(26(32)33)10-13-30(14-11-27)15-16-35-25-6-2-3-12-28-25/h2-3,6-8,12,17-18,31H,4-5,9-11,13-16,19H2,1H3,(H,32,33)