[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

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