methyl 1-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)carbonylamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)carbonylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[(3,4,5-trimethoxybenzoyl)amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(3,4,5-trimethoxybenzoyl)amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(3,4,5-trimethoxybenzoyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C21H20N2O7/c1-27-16-9-12(10-17(28-2)18(16)29-3)19(24)22-23-11-15(21(26)30-4)13-7-5-6-8-14(13)20(23)25/h5-11H,1-4H3,(H,22,24)