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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-acetamido-3-(2-chlorophenyl)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-acetamido-3-(2-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(2-chlorophenyl)propanoic 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] 3-acetamido-3-(2-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(2-chlorophenyl)propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H22ClN3O7 MolecularWeight: 475.87898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN3O7/c1-13(27)24-17(15-4-2-3-5-16(15)23)11-21(29)33-12-20(28)26-22(30)25-14-6-7-18-19(10-14)32-9-8-31-18/h2-7,10,17H,8-9,11-12H2,1H3,(H,24,27)(H2,25,26,28,30)