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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-fluoranyl-propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-fluoropropyl]-1-(3-phenylpropyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-(3-phenylpropyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-1-(3-phenylpropyl)isonipecotic acid Formula: C28H32ClFN2O3 MolecularWeight: 499.016683

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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=C4)C(=O)O)F

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C28H32ClFN2O3/c1-35-21-9-10-25-22(18-21)26(23(29)19-31-25)24(30)11-12-28(27(33)34)13-16-32(17-14-28)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,18-19,24H,5,8,11-17H2,1H3,(H,33,34)