1-[naphthalen-2-yl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[naphthalen-2-yl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-naphthyl(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-naphthalenyl(pyridin-4-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-naphthyl(4-pyridyl)methyl]nipecotic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C22H22N2O2/c25-22(26)20-6-3-13-24(15-20)21(17-9-11-23-12-10-17)19-8-7-16-4-1-2-5-18(16)14-19/h1-2,4-5,7-12,14,20-21H,3,6,13,15H2,(H,25,26)