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

Systemtic Name: 1-[isoquinolin-6-yl(phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl(phenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(phenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(phenyl)methyl]pipecolinic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c25-22(26)20-8-4-5-13-24(20)21(16-6-2-1-3-7-16)18-9-10-19-15-23-12-11-17(19)14-18/h1-3,6-7,9-12,14-15,20-21H,4-5,8,13H2,(H,25,26)