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

Systemtic Name: 1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl(p-tolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H24N2O2/c1-16-4-6-17(7-5-16)22(25-12-2-3-21(15-25)23(26)27)19-8-9-20-14-24-11-10-18(20)13-19/h4-11,13-14,21-22H,2-3,12,15H2,1H3,(H,26,27)