1-[(4-bromophenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-isoquinolin-6-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(6-isoquinolyl)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=C(C=C2)Br)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

InChI

InChI=1S/C22H21BrN2O2/c23-20-7-5-15(6-8-20)21(25-11-1-2-19(14-25)22(26)27)17-3-4-18-13-24-10-9-16(18)12-17/h3-10,12-13,19,21H,1-2,11,14H2,(H,26,27)