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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)NC(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)NC(=O)N

InChI

InChI=1S/C17H19N3O6/c1-3-4-7-20-14(22)11-6-5-10(8-12(11)15(20)23)16(24)26-9(2)13(21)19-17(18)25/h5-6,8-9H,3-4,7H2,1-2H3,(H3,18,19,21,25)