4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyrimidin-2-ylpropyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyrimidin-2-ylpropyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]-1-(3-pyrimidin-2-ylpropyl)piperidine-3-carboxylic acid CAS Name: 4-[3-fluoro-3-(6-methoxy-4-quinolinyl)propyl]-1-[3-(2-pyrimidinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyrimidin-2-ylpropyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(2-pyrimidyl)propyl]nipecotic acid Formula: C26H31FN4O3 MolecularWeight: 466.547743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCC4=NC=CC=N4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCC4=NC=CC=N4)F

InChI

InChI=1S/C26H31FN4O3/c1-34-19-6-8-24-21(16-19)20(9-13-28-24)23(27)7-5-18-10-15-31(17-22(18)26(32)33)14-2-4-25-29-11-3-12-30-25/h3,6,8-9,11-13,16,18,22-23H,2,4-5,7,10,14-15,17H2,1H3,(H,32,33)