[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C16H20N2O6/c1-10(2)7-17-16(21)18-14(19)9-23-15(20)13-8-22-11-5-3-4-6-12(11)24-13/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,19,21)/t13-/m1/s1