diethyl 2-acetamido-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[4-(1,3-dioxoisoindolin-2-yl)butyl]propanedioate CAS Name: 2-acetamido-2-[4-(1,3-dioxo-2-isoindolyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[4-(1,3-dioxoisoindol-2-yl)butyl]propanedioate Traditional Name: 2-acetamido-2-(4-phthalimidobutyl)malonic acid diethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-4-29-19(27)21(22-14(3)24,20(28)30-5-2)12-8-9-13-23-17(25)15-10-6-7-11-16(15)18(23)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,24)