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

Systemtic Name: 1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(naphthalen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4

InChI

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