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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-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] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-14(15-5-3-2-4-6-15)11-20(25)29-13-19(24)23-21(26)22-16-7-8-17-18(12-16)28-10-9-27-17/h2-8,12,14H,9-11,13H2,1H3,(H2,22,23,24,26)/t14-/m1/s1