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

Systemtic Name: 1-(2-butylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-(2-butylsulfanylethyl)-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(butylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-butylsulfanylethyl)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(butylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]nipecotic acid Formula: C25H35FN2O3S MolecularWeight: 462.620403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCN1CCC(C(C1)C(=O)O)CCCC2=C3C=C(C=CC3=NC=C2F)OC

Isomeric SMILES

CCCCSCCN1CCC(C(C1)C(=O)O)CCCC2=C3C=C(C=CC3=NC=C2F)OC

InChI

InChI=1S/C25H35FN2O3S/c1-3-4-13-32-14-12-28-11-10-18(22(17-28)25(29)30)6-5-7-20-21-15-19(31-2)8-9-24(21)27-16-23(20)26/h8-9,15-16,18,22H,3-7,10-14,17H2,1-2H3,(H,29,30)