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

Systemtic Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]piperidine-3-carboxylic acid Openeye Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-oxo-propyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(cyclopentylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(cyclopentylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-keto-propyl]nipecotic acid Formula: C26H33FN2O4S MolecularWeight: 488.614623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3C(=O)O)CCSC4CCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3C(=O)O)CCSC4CCCC4

InChI

InChI=1S/C26H33FN2O4S/c1-33-18-7-8-23-20(14-18)25(22(27)15-28-23)24(30)9-6-17-10-11-29(16-21(17)26(31)32)12-13-34-19-4-2-3-5-19/h7-8,14-15,17,19,21H,2-6,9-13,16H2,1H3,(H,31,32)