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

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(2-pyridinylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylthio)ethyl]nipecotic acid Formula: C26H30FN3O3S MolecularWeight: 483.598103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CCSC4=CC=CC=N4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CCSC4=CC=CC=N4

InChI

InChI=1S/C26H30FN3O3S/c1-33-19-8-9-24-21(15-19)20(23(27)16-29-24)6-4-5-18-10-12-30(17-22(18)26(31)32)13-14-34-25-7-2-3-11-28-25/h2-3,7-9,11,15-16,18,22H,4-6,10,12-14,17H2,1H3,(H,31,32)