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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4,5-dimethoxybenzoic acid Traditional Name: 4,5-dimethoxy-2-(3-phthalimidopropanoylamino)benzoic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-28-15-9-13(20(26)27)14(10-16(15)29-2)21-17(23)7-8-22-18(24)11-5-3-4-6-12(11)19(22)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,26,27)