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

Systemtic Name: methyl 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoate Openeye Name: methyl 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoate CAS Name: 4-[(6,7-diethoxy-3-isoquinolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6,7-diethoxyisoquinolin-3-yl)amino]benzoate Traditional Name: 4-[(6,7-diethoxy-3-isoquinolyl)amino]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-4-26-18-10-15-12-20(22-13-16(15)11-19(18)27-5-2)23-17-8-6-14(7-9-17)21(24)25-3/h6-13H,4-5H2,1-3H3,(H,22,23)