2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-[4-(methylamino)phenyl]-5-isoquinolyl]acetic acid CAS Name: 2-[1-[4-(methylamino)phenyl]-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetic acid Traditional Name: 2-[1-[4-(methylamino)phenyl]-5-isoquinolyl]acetic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC(=O)O

Isomeric SMILES

CNC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC(=O)O

InChI

InChI=1S/C18H16N2O2/c1-19-14-7-5-12(6-8-14)18-16-4-2-3-13(11-17(21)22)15(16)9-10-20-18/h2-10,19H,11H2,1H3,(H,21,22)