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

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]nipecotic acid Formula: C26H27FN2O3S MolecularWeight: 466.567583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CC#CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CC#CC4=CC=CS4

InChI

InChI=1S/C26H27FN2O3S/c1-32-19-9-10-25-22(15-19)21(24(27)16-28-25)8-2-5-18-11-13-29(17-23(18)26(30)31)12-3-6-20-7-4-14-33-20/h4,7,9-10,14-16,18,23H,2,5,8,11-13,17H2,1H3,(H,30,31)