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

Systemtic Name: methyl 3-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)carbonylamino]-1,4-dihydroisoquinoline-1-carboxylate Openeye Name: methyl 3-oxo-2-[(3,4,5-trimethoxybenzoyl)amino]-1,4-dihydroisoquinoline-1-carboxylate CAS Name: 3-oxo-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1,4-dihydroisoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-[(3,4,5-trimethoxybenzoyl)amino]-1,4-dihydroisoquinoline-1-carboxylate Traditional Name: 3-keto-2-[(3,4,5-trimethoxybenzoyl)amino]-1,4-dihydroisoquinoline-1-carboxylic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C(C3=CC=CC=C3CC2=O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C(C3=CC=CC=C3CC2=O)C(=O)OC

InChI

InChI=1S/C21H22N2O7/c1-27-15-9-13(10-16(28-2)19(15)29-3)20(25)22-23-17(24)11-12-7-5-6-8-14(12)18(23)21(26)30-4/h5-10,18H,11H2,1-4H3,(H,22,25)