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

Systemtic Name: 1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(1-naphthyl)methyl]isonipecotic acid Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC5=CC=CC=C54

InChI

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