dimethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-(4-phthalimidobutanoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H20N2O7/c1-30-21(28)13-9-10-16(22(29)31-2)17(12-13)23-18(25)8-5-11-24-19(26)14-6-3-4-7-15(14)20(24)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,23,25)