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

Systemtic Name: 1-[pyridin-3-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-pyridyl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[3-pyridinyl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-3-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-pyridyl(4-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=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CN=CC=C2)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

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