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

Systemtic Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(cyclopentylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(cyclopentylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]isonipecotic acid Formula: C26H35FN2O4S MolecularWeight: 490.630503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCC3(CCN(CC3)CCSC4CCCC4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCC3(CCN(CC3)CCSC4CCCC4)C(=O)O)O

InChI

InChI=1S/C26H35FN2O4S/c1-33-18-6-7-22-20(16-18)24(21(27)17-28-22)23(30)8-9-26(25(31)32)10-12-29(13-11-26)14-15-34-19-4-2-3-5-19/h6-7,16-17,19,23,30H,2-5,8-15H2,1H3,(H,31,32)