biostudies-literatureKhan BAKing Khalid UniversityHigher Education Commission, Pakistan29452-29464https://www.ebi.ac.uk/biostudies/studies/S-EPMC9404513biostudies-literatureUnknown7(33)Ethyl 4-(4-fluorophenylamino)-2,6-bis(4-(trifluoromethyl)phenyl)-1-(4-fluoro-phenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate (<b>FTEAA</b>) has been synthesized efficiently in an iodine-catalyzed five-component reaction of 4-fluoroaniline, 4-trifluoromethyl benzaldehyde, and ethyl acetoacetate in methanol at 55 °C for 12 h. Various spectro-analytical techniques such as ¹H and ¹³C NMR and Fourier-transform infrared spectroscopy have validated the structure of <b>FTEAA</b>. Further confirmation of the structure of <b>FTEAA</b> has been established on the basis of single-crystal X-ray diffraction analysis. The supramolecular assembly of <b>FTEAA</b> in terms of strong and comparatively weak noncovalent interactions is fully investigated by Hirshfeld surface analysis, thACS omegaExploring Highly Functionalized Tetrahydropyridine as a Dual Inhibitor of Monoamine Oxidase A and B: Synthesis, Structural Analysis, Single Crystal XRD, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis, and Computational Studies.PMC9404513RGP.1/318/43NRPU-6455Khan BAAshfaq MAlarfaji SSMuhammad SMunawar KSTahir MNAl-Sehemi AGfalseExploring Highly Functionalized Tetrahydropyridine as a Dual Inhibitor of Monoamine Oxidase A and B: Synthesis, Structural Analysis, Single Crystal XRD, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis, and Computational Studies.Ethyl 4-(4-fluorophenylamino)-2,6-bis(4-(trifluoromethyl)phenyl)-1-(4-fluoro-phenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate (<b>FTEAA</b>) has been synthesized efficiently in an iodine-catalyzed five-component reaction of 4-fluoroaniline, 4-trifluoromethyl benzaldehyde, and ethyl acetoacetate in methanol at 55 °C for 12 h. Various spectro-analytical techniques such as ¹H and ¹³C NMR and Fourier-transform infrared spectroscopy have validated the structure of <b>FTEAA</b>. Further confirmation of the structure of <b>FTEAA</b> has been established on the basis of single-crystal X-ray diffraction analysis. The supramolecular assembly of <b>FTEAA</b> in terms of strong and comparatively weak noncovalent interactions is fully investigated by Hirshfeld surface analysis, th2022-01-01T00:00:00Z2022 Aug2026-05-27T23:04:30.515Z2024-11-20T00:11:24.227ZS-EPMC94045133603370710.1021/acsomega.2c03909