1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(5-methyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(5-methyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(5-methyl-2-pyridyl)methyl]pipecolinic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H23N3O2/c1-15-5-8-19(24-13-15)21(25-11-3-2-4-20(25)22(26)27)17-6-7-18-14-23-10-9-16(18)12-17/h5-10,12-14,20-21H,2-4,11H2,1H3,(H,26,27)