[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C21H22N2O6/c1-13-7-8-15(9-14(13)2)20(25)28-12-19(24)23-21(26)22-10-16-11-27-17-5-3-4-6-18(17)29-16/h3-9,16H,10-12H2,1-2H3,(H2,22,23,24,26)