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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4

InChI

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