1-[(3-bromophenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(6-isoquinolyl)methyl]pipecolinic acid Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

InChI

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