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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

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