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

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[3-(3-thiophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[3-(3-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=CSC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CC#CC4=CSC=C4

InChI

InChI=1S/C26H27FN2O3S/c1-32-20-7-8-25-22(14-20)21(24(27)15-28-25)6-2-5-19-9-12-29(16-23(19)26(30)31)11-3-4-18-10-13-33-17-18/h7-8,10,13-15,17,19,23H,2,5-6,9,11-12,16H2,1H3,(H,30,31)