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

Systemtic Name: ethyl 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoate Openeye Name: ethyl 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoate CAS Name: 4-[(6,7-diethoxy-3-isoquinolinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoate Traditional Name: 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoic acid ethyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-26-19-11-16-13-21(23-14-17(16)12-20(19)27-5-2)24-18-9-7-15(8-10-18)22(25)28-6-3/h7-14H,4-6H2,1-3H3,(H,23,24)