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

Systemtic Name: 1-[(3-bromophenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

InChI

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