1-(3-cyclobutylsulfanylpropyl)-4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-(3-cyclobutylsulfanylpropyl)-4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-(3-cyclobutylsulfanylpropyl)-4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(cyclobutylthio)propyl]-4-[3-fluoro-3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-cyclobutylsulfanylpropyl)-4-[3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(cyclobutylthio)propyl]-4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]nipecotic acid Formula: C26H35FN2O3S MolecularWeight: 474.631103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCSC4CCC4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCSC4CCC4)F

InChI

InChI=1S/C26H35FN2O3S/c1-32-19-7-9-25-22(16-19)21(10-12-28-25)24(27)8-6-18-11-14-29(17-23(18)26(30)31)13-3-15-33-20-4-2-5-20/h7,9-10,12,16,18,20,23-24H,2-6,8,11,13-15,17H2,1H3,(H,30,31)