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

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(3-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(3-thiophenylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(3-thienylthio)ethyl]nipecotic acid Formula: C25H29FN2O3S2 MolecularWeight: 488.637763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CCSC4=CSC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CCSC4=CSC=C4

InChI

InChI=1S/C25H29FN2O3S2/c1-31-18-5-6-24-21(13-18)20(23(26)14-27-24)4-2-3-17-7-9-28(15-22(17)25(29)30)10-12-33-19-8-11-32-16-19/h5-6,8,11,13-14,16-17,22H,2-4,7,9-10,12,15H2,1H3,(H,29,30)