[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C20H25N3O6/c1-12(16(25)21-19(28)22-20(2,3)4)29-15(24)10-7-11-23-17(26)13-8-5-6-9-14(13)18(23)27/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2,21,22,25,28)