[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-13(2)11-23-22(30)24-18(26)12-31-21(29)14-6-5-7-15(10-14)25-19(27)16-8-3-4-9-17(16)20(25)28/h3-10,13H,11-12H2,1-2H3,(H2,23,24,26,30)