1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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