ethyl 4-[(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)carbamoylamino]benzoate CAS Name: 4-[[[(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)carbamoylamino]benzoate Traditional Name: 4-[(3-keto-6,7-dimethoxy-1-methyl-2H-isoquinolin-4-yl)carbamoylamino]benzoic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C3C=C(C(=CC3=C(NC2=O)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C3C=C(C(=CC3=C(NC2=O)C)OC)OC

InChI

InChI=1S/C22H23N3O6/c1-5-31-21(27)13-6-8-14(9-7-13)24-22(28)25-19-16-11-18(30-4)17(29-3)10-15(16)12(2)23-20(19)26/h6-11H,5H2,1-4H3,(H,23,26)(H2,24,25,28)