4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoic acid

Systemtic Name: 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoic acid Openeye Name: 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoic acid CAS Name: 4-[(6,7-diethoxy-3-isoquinolinyl)amino]benzoic acid IUPAC Name: 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoic acid Traditional Name: 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=NC(=CC2=C1)NC3=CC=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C=NC(=CC2=C1)NC3=CC=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C20H20N2O4/c1-3-25-17-9-14-11-19(21-12-15(14)10-18(17)26-4-2)22-16-7-5-13(6-8-16)20(23)24/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,24)