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

Systemtic Name: 1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl(1-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=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC5=CC=CC=C54)C(=O)O

InChI

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