Exploring QSARs of some analgesic compounds by PC-ANN was written by Deeb, Omar;Drabh, Mojahed. And the article was included in Chemical Biology & Drug Design in 2010.Synthetic Route of C17H15NO5 The following contents are mentioned in the article:
Quant. structure-activity relationship study was performed to understand analgesic activity for a set of 95 heterogeneous analgesic compounds This study was performed by using the principal component-artificial neural network modeling method, with application of eigenvalue ranking factor selection procedure. The results obtained by principal component-artificial neural network give advanced regression models with good prediction ability using a relatively low number of principal components. A 0.834 correlation coefficient was obtained using principal component-artificial neural network with six extracted principal components. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Synthetic Route of C17H15NO5).
4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Synthetic Route of C17H15NO5
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics