[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C21H22N2O6/c1-13(2)22-21(27)23-19(25)12-28-20(26)17-6-4-15(5-7-17)16-8-10-18(11-9-16)29-14(3)24/h4-11,13H,12H2,1-3H3,(H2,22,23,25,27)