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

Systemtic Name: methyl 1-oxidanylidene-2-[(3,4,5-triethoxyphenyl)carbonylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[(3,4,5-triethoxybenzoyl)amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(3,4,5-triethoxybenzoyl)amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(3,4,5-triethoxybenzoyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C24H26N2O7 MolecularWeight: 454.47244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C24H26N2O7/c1-5-31-19-12-15(13-20(32-6-2)21(19)33-7-3)22(27)25-26-14-18(24(29)30-4)16-10-8-9-11-17(16)23(26)28/h8-14H,5-7H2,1-4H3,(H,25,27)