[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O6/c1-12(17(25)23-21(22)29)30-20(28)14-7-8-15-16(11-14)19(27)24(18(15)26)10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H3,22,23,25,29)