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

Systemtic Name: dimethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]-4-cyano-4-oxidanyl-heptanedioate Openeye Name: dimethyl 4-cyano-3-[2-(1,3-dioxoisoindolin-2-yl)acetyl]-4-hydroxy-heptanedioate CAS Name: 4-cyano-3-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]-4-hydroxyheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-hydroxyheptanedioate Traditional Name: 4-cyano-4-hydroxy-3-(2-phthalimidoacetyl)pimelic acid dimethyl ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O8/c1-29-16(24)7-8-20(28,11-21)14(9-17(25)30-2)15(23)10-22-18(26)12-5-3-4-6-13(12)19(22)27/h3-6,14,28H,7-10H2,1-2H3