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

Systemtic Name: 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoate Openeye Name: 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoate CAS Name: 4-[(6,7-diethoxy-3-isoquinolinyl)amino]benzoate IUPAC Name: 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoate Traditional Name: 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoate Formula: C20H19N2O4- MolecularWeight: 351.37586

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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)/p-1