[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H22N2O7/c1-10(2)16(17(23)20-18(19)24)27-15(22)6-4-12(21)11-3-5-13-14(9-11)26-8-7-25-13/h3,5,9-10,16H,4,6-8H2,1-2H3,(H3,19,20,23,24)