1-[(3-fluorophenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluorophenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluorophenyl)-(4-quinolyl)methyl]nipecotic acid Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)F)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)F)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C22H21FN2O2/c23-17-7-3-5-15(13-17)21(25-12-4-6-16(14-25)22(26)27)19-10-11-24-20-9-2-1-8-18(19)20/h1-3,5,7-11,13,16,21H,4,6,12,14H2,(H,26,27)