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

Systemtic Name: 1-[isoquinolin-6-yl(phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(phenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(phenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(phenyl)methyl]isonipecotic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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