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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)F)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)F)C3=CC4=CC=CC=C4N=C3

InChI

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