[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCCC#N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H19N3O5/c1-11(2)15(18(25)26-10-14(22)20-9-5-8-19)21-16(23)12-6-3-4-7-13(12)17(21)24/h3-4,6-7,11,15H,5,9-10H2,1-2H3,(H,20,22)