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

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-phenoxyethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-(2-phenoxyethyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-(2-phenoxyethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-phenoxyethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-(2-phenoxyethyl)isonipecotic acid Formula: C27H31FN2O4 MolecularWeight: 466.544443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(CC3)CCOC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(CC3)CCOC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H31FN2O4/c1-33-21-9-10-25-23(18-21)22(24(28)19-29-25)8-5-11-27(26(31)32)12-14-30(15-13-27)16-17-34-20-6-3-2-4-7-20/h2-4,6-7,9-10,18-19H,5,8,11-17H2,1H3,(H,31,32)