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

Systemtic Name: 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-pyridyl(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-pyridinyl(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-pyridyl(2-quinolyl)methyl]isonipecotic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CC=N4

InChI

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