1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl(2-naphthyl)methyl]nipecotic acid Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C26H24N2O2/c29-26(30)24-6-3-13-28(17-24)25(21-8-7-18-4-1-2-5-19(18)14-21)22-9-10-23-16-27-12-11-20(23)15-22/h1-2,4-5,7-12,14-16,24-25H,3,6,13,17H2,(H,29,30)