2-(1-cyano-7-methoxy-isoquinolin-4-yl)propanoic acid

Systemtic Name: 2-(1-cyano-7-methoxy-isoquinolin-4-yl)propanoic acid Openeye Name: 2-(1-cyano-7-methoxy-4-isoquinolyl)propanoic acid CAS Name: 2-(1-cyano-7-methoxy-4-isoquinolinyl)propanoic acid IUPAC Name: 2-(1-cyano-7-methoxyisoquinolin-4-yl)propanoic acid Traditional Name: 2-(1-cyano-7-methoxy-4-isoquinolyl)propionic acid Formula: C14H12N2O3 MolecularWeight: 256.25668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C(C2=C1C=CC(=C2)OC)C#N)C(=O)O

Isomeric SMILES

CC(C1=CN=C(C2=C1C=CC(=C2)OC)C#N)C(=O)O

InChI

InChI=1S/C14H12N2O3/c1-8(14(17)18)12-7-16-13(6-15)11-5-9(19-2)3-4-10(11)12/h3-5,7-8H,1-2H3,(H,17,18)