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

Systemtic Name: 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-naphthyl(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-naphthalenyl(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-naphthyl(2-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=CC3=CC=CC=C32)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=CC=N4)C(=O)O

InChI

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