dimethyl 4-acetyloxy-3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-acetyloxy-3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]-4-cyano-heptanedioate Openeye Name: dimethyl 4-acetoxy-4-cyano-3-[2-(1,3-dioxoisoindolin-2-yl)acetyl]heptanedioate CAS Name: 4-acetyloxy-4-cyano-3-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-acetyloxy-4-cyano-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]heptanedioate Traditional Name: 4-acetoxy-4-cyano-3-(2-phthalimidoacetyl)pimelic acid dimethyl ester Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(=O)OC)(C#N)C(CC(=O)OC)C(=O)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(=O)OC(CCC(=O)OC)(C#N)C(CC(=O)OC)C(=O)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C22H22N2O9/c1-13(25)33-22(12-23,9-8-18(27)31-2)16(10-19(28)32-3)17(26)11-24-20(29)14-6-4-5-7-15(14)21(24)30/h4-7,16H,8-11H2,1-3H3