[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C20H26N2O7/c1-13(2)11-21-20(26)22-18(24)12-29-19(25)7-5-15(23)14-4-6-16-17(10-14)28-9-3-8-27-16/h4,6,10,13H,3,5,7-9,11-12H2,1-2H3,(H2,21,22,24,26)