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

Systemtic Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c25-21(26)19-5-1-2-11-24(19)20(18-4-3-9-22-14-18)16-6-7-17-13-23-10-8-15(17)12-16/h3-4,6-10,12-14,19-20H,1-2,5,11H2,(H,25,26)