1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(p-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(p-tolyl)methyl]pipecolinic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C23H24N2O2/c1-16-5-7-17(8-6-16)22(25-13-3-2-4-21(25)23(26)27)19-9-10-20-15-24-12-11-18(20)14-19/h5-12,14-15,21-22H,2-4,13H2,1H3,(H,26,27)