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

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-heptyl-piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-heptyl-piperidine-4-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-heptyl-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-heptylpiperidine-4-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-heptyl-isonipecotic acid Formula: C26H37FN2O3 MolecularWeight: 444.581983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(CC1)(CCCC2=C3C=C(C=CC3=NC=C2F)OC)C(=O)O

Isomeric SMILES

CCCCCCCN1CCC(CC1)(CCCC2=C3C=C(C=CC3=NC=C2F)OC)C(=O)O

InChI

InChI=1S/C26H37FN2O3/c1-3-4-5-6-7-15-29-16-13-26(14-17-29,25(30)31)12-8-9-21-22-18-20(32-2)10-11-24(22)28-19-23(21)27/h10-11,18-19H,3-9,12-17H2,1-2H3,(H,30,31)