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

Systemtic Name: 1-[(2-bromophenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-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=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br

InChI

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