ethyl 2-[[6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[(2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[(2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carbonyl)amino]benzoic acid ethyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C

InChI

InChI=1S/C25H28N2O6/c1-6-33-25(30)16-9-7-8-10-20(16)26-23(28)19-14-27(13-15(2)3)24(29)18-12-22(32-5)21(31-4)11-17(18)19/h7-12,14-15H,6,13H2,1-5H3,(H,26,28)