4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-3-ylsulfanylpropyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-3-ylsulfanylpropyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(3-pyridylsulfanyl)propyl]piperidine-3-carboxylic acid CAS Name: 4-[3-fluoro-3-(6-methoxy-4-quinolinyl)propyl]-1-[3-(3-pyridinylthio)propyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-3-ylsulfanylpropyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(3-pyridylthio)propyl]nipecotic acid Formula: C27H32FN3O3S MolecularWeight: 497.624683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCSC4=CN=CC=C4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCSC4=CN=CC=C4)F

InChI

InChI=1S/C27H32FN3O3S/c1-34-20-6-8-26-23(16-20)22(9-12-30-26)25(28)7-5-19-10-14-31(18-24(19)27(32)33)13-3-15-35-21-4-2-11-29-17-21/h2,4,6,8-9,11-12,16-17,19,24-25H,3,5,7,10,13-15,18H2,1H3,(H,32,33)