X-Ray Crystallographic and Theoretical Studies of an Anticonvulsant Enaminone: Methyl 4-(4’-Bromophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate | Zendy

Ivan O. Edafiogho | Zendy; B.J. Denny | Zendy; Carl H. Schwalbe | Zendy; Philip R. Lowe | Zendy

Open Access

X-Ray Crystallographic and Theoretical Studies of an Anticonvulsant Enaminone: Methyl 4-(4’-Bromophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate

Author(s) -

Ivan O. Edafiogho,

B.J. Denny,

Carl H. Schwalbe,

Philip R. Lowe

Publication year - 2003

Publication title -

medical principles and practice

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.426

H-Index - 45

eISSN - 1423-0151

pISSN - 1011-7571

DOI - 10.1159/000072290

Subject(s) - enantiomer , ab initio , molecule , chemistry , crystal structure , ab initio quantum chemistry methods , stereochemistry , cyclohexene , crystallography , catalysis , organic chemistry

The aims of this study were to establish the structure of the potent anticonvulsant enaminone methyl 4-(4'-bromophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate (E139), and to determine the energetically preferred conformation of the molecule, which is responsible for the biological activity.

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