methyl 4,5-dimethoxy-2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 2-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H22N2O6/c1-13-14-7-5-6-8-15(14)21(26)24(13)10-9-20(25)23-17-12-19(29-3)18(28-2)11-16(17)22(27)30-4/h5-8,11-12H,1,9-10H2,2-4H3,(H,23,25)