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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4

InChI

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