dimethyl 5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(4-phthalimidobutanoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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