1-[isoquinolin-6-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl(2-pyridyl)methyl]nipecotic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4)C(=O)O

InChI

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