[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C(C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C(C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C17H19N3O6/c1-8(2)12(13(21)19-17(18)25)26-16(24)9(3)20-14(22)10-6-4-5-7-11(10)15(20)23/h4-9,12H,1-3H3,(H3,18,19,21,25)