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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-fluoranyl-propyl]-1-(3-pyridin-2-ylpropyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-1-[3-(2-pyridyl)propyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-fluoropropyl]-1-[3-(2-pyridinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-(3-pyridin-2-ylpropyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-1-[3-(2-pyridyl)propyl]isonipecotic acid Formula: C27H31ClFN3O3 MolecularWeight: 500.004743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCC4=CC=CC=N4)C(=O)O)F

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCC4=CC=CC=N4)C(=O)O)F

InChI

InChI=1S/C27H31ClFN3O3/c1-35-20-7-8-24-21(17-20)25(22(28)18-31-24)23(29)9-10-27(26(33)34)11-15-32(16-12-27)14-4-6-19-5-2-3-13-30-19/h2-3,5,7-8,13,17-18,23H,4,6,9-12,14-16H2,1H3,(H,33,34)