1-[isoquinolin-6-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(2-pyridyl)methyl]isonipecotic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4

InChI

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