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

Systemtic Name: 1-[pyridin-3-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-pyridyl(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[3-pyridinyl(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-3-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-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=CN=CC=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CN=CC=C2)C3=NC4=CC=CC=C4C=C3

InChI

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