[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

InChI

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