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

Systemtic Name: 1-[(4-bromophenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

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

InChI

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