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

Systemtic Name: 1-[pyridin-4-yl(quinolin-3-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-pyridyl(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[pyridin-4-yl(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl(quinolin-3-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-pyridyl(3-quinolyl)methyl]nipecotic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

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