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

Systemtic Name: 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-pyridyl(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-pyridinyl(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-pyridyl(2-quinolyl)methyl]nipecotic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C21H21N3O2/c25-21(26)16-7-5-13-24(14-16)20(18-9-3-4-12-22-18)19-11-10-15-6-1-2-8-17(15)23-19/h1-4,6,8-12,16,20H,5,7,13-14H2,(H,25,26)