1-[pyridin-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[pyridin-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-pyridyl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-pyridinyl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-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=CC=NC3=CC=CC=C23)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC=CC=N4)C(=O)O

InChI

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