4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]-1-(4-pyrimidin-5-ylbutyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl]-1-(4-pyrimidin-5-ylbutyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]-1-(4-pyrimidin-5-ylbutyl)piperidine-3-carboxylic acid CAS Name: 4-[3-fluoro-3-(6-methoxy-4-quinolinyl)propyl]-1-[4-(5-pyrimidinyl)butyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-(4-pyrimidin-5-ylbutyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-fluoro-3-(6-methoxy-4-quinolyl)propyl]-1-[4-(5-pyrimidyl)butyl]nipecotic acid Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCCC4=CN=CN=C4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCCCC4=CN=CN=C4)F

InChI

InChI=1S/C27H33FN4O3/c1-35-21-6-8-26-23(14-21)22(9-11-31-26)25(28)7-5-20-10-13-32(17-24(20)27(33)34)12-3-2-4-19-15-29-18-30-16-19/h6,8-9,11,14-16,18,20,24-25H,2-5,7,10,12-13,17H2,1H3,(H,33,34)