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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C23H23N3O6 MolecularWeight: 437.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23N3O6/c1-13(2)18(19(27)25-23(24)31)32-22(30)15-8-9-16-17(12-15)21(29)26(20(16)28)11-10-14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3,(H3,24,25,27,31)