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

Systemtic Name: methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(3-phthalimidopropanoylamino)benzoic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-28-16-10-14(21(27)30-3)15(11-17(16)29-2)22-18(24)8-9-23-19(25)12-6-4-5-7-13(12)20(23)26/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)