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

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

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CN=CC=C2)C3=CC=NC4=CC=CC=C34

InChI

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