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

Systemtic Name: 1-[pyridin-3-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-pyridyl(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[3-pyridinyl(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-3-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-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=CN=CC=C2)C3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CN=CC=C2)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

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