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

Systemtic Name: 1-[(3-fluorophenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-fluorophenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-fluorophenyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)F)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)F)C3=CC4=CC=CC=C4N=C3

InChI

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