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

Systemtic Name: 1-(2-cyclopropylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-(2-cyclopropylsulfanylethyl)-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(cyclopropylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-cyclopropylsulfanylethyl)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(cyclopropylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]nipecotic acid Formula: C24H31FN2O3S MolecularWeight: 446.577943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CCSC4CC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3C(=O)O)CCSC4CC4

InChI

InChI=1S/C24H31FN2O3S/c1-30-17-5-8-23-20(13-17)19(22(25)14-26-23)4-2-3-16-9-10-27(15-21(16)24(28)29)11-12-31-18-6-7-18/h5,8,13-14,16,18,21H,2-4,6-7,9-12,15H2,1H3,(H,28,29)