1-[(2-bromophenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(4-quinolyl)methyl]nipecotic acid Formula: C22H21BrN2O2 MolecularWeight: 425.31834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C22H21BrN2O2/c23-19-9-3-1-8-18(19)21(25-13-5-6-15(14-25)22(26)27)17-11-12-24-20-10-4-2-7-16(17)20/h1-4,7-12,15,21H,5-6,13-14H2,(H,26,27)