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

Systemtic Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl(3-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=CN=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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