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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O7/c1-2-16(30-15-6-4-3-5-7-15)20(25)29-13-19(24)23-21(26)22-14-8-9-17-18(12-14)28-11-10-27-17/h3-9,12,16H,2,10-11,13H2,1H3,(H2,22,23,24,26)/t16-/m1/s1