Chem
J-GLOBAL ID：200907002064339950   Nikkaji number：J2.507.795D

(2S)-1-(Trifluoroacetyl)-2,5β-dimethyl-6α-(2-bromophenyl)-1,2,5,6-tetrahydropyridine-2α-carboxylic acid methyl ester

(2S)-1-(トリフルオロアセチル)-2,5β-ジメチル-6α-(2-ブロモフェニル)-1,2,5,6-テトラヒドロピリジン-2α-カルボン酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H17BrF3NO3
Molecular formula furigana： C17-H17-BR-F3-N-O3
Molecular weight： 420.226
InChI： InChI=1S/C17H17BrF3NO3/c1-10-8-9-16(2,15(24)25-3)22(14(23)17(19,20)21)13(10)11-6-4-5-7-12(11)18/h4-10,13H,1-3H3/t10-,13-,16+/m1/s1
InChI key： PZNMCEPHIVAKBR-ZXIHIIQKSA-N
SMILES： COC(=O)[C@]1(C)C=C[C@@H](C)[C@@H](N1C(=O)C(F)(F)F)c1ccccc1Br
Systematic name  (3)：
  • (2S)-1-(トリフルオロアセチル)-2,5β-ジメチル-6α-(2-ブロモフェニル)-1,2,5,6-テトラヒドロピリジン-2α-カルボン酸メチル
  • メチル (2S,5R,6R)-6-(2-ブロモフェニル)-2,5-ジメチル-1-(2,2,2-トリフルオロアセチル)-1,2,5,6-テトラヒドロピリジン-2-カルボキシラート
  • methyl (2S,5R,6R)-6-(2-bromophenyl)-2,5-dimethyl-1-(2,2,2-trifluoroacetyl)-1,2,5,6-tetrahydropyridine-2-carboxylate
Other name (1)：
  • (2S)-1-(Trifluoroacetyl)-2,5β-dimethyl-6α-(2-bromophenyl)-1,2,5,6-tetrahydropyridine-2α-carboxylic acid methyl ester
Thsaurus map：
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