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

Systemtic Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-fluoranyl-3-(6-methoxy-3-methyl-quinolin-4-yl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-fluoro-3-(6-methoxy-3-methyl-4-quinolyl)propyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(cyclopentylthio)ethyl]-4-[3-fluoro-3-(6-methoxy-3-methyl-4-quinolinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-fluoro-3-(6-methoxy-3-methylquinolin-4-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(cyclopentylthio)ethyl]-4-[3-fluoro-3-(6-methoxy-3-methyl-4-quinolyl)propyl]isonipecotic acid Formula: C27H37FN2O3S MolecularWeight: 488.657683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC(=CC2=C1C(CCC3(CCN(CC3)CCSC4CCCC4)C(=O)O)F)OC

Isomeric SMILES

CC1=CN=C2C=CC(=CC2=C1C(CCC3(CCN(CC3)CCSC4CCCC4)C(=O)O)F)OC

InChI

InChI=1S/C27H37FN2O3S/c1-19-18-29-24-8-7-20(33-2)17-22(24)25(19)23(28)9-10-27(26(31)32)11-13-30(14-12-27)15-16-34-21-5-3-4-6-21/h7-8,17-18,21,23H,3-6,9-16H2,1-2H3,(H,31,32)