1-[(2-fluorophenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-fluorophenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-fluorophenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-fluorophenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-fluorophenyl)-(3-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=C2F)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2F)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

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