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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21N3O6/c1-22(2,3)24-21(30)23-17(26)12-31-20(29)13-8-10-14(11-9-13)25-18(27)15-6-4-5-7-16(15)19(25)28/h4-11H,12H2,1-3H3,(H2,23,24,26,30)