Chem
J-GLOBAL ID：200907088987742555   Nikkaji number：J2.042.306D

(S)-4-(3-Hydroxyphenyl)-4-[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionyloxy]butyric acid methyl ester

(S)-4-(3-ヒドロキシフェニル)-4-[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニルオキシ]酪酸メチル
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： C21H21F3O6
Molecular formula furigana： C21-H21-F3-O6
Molecular weight： 426.388
InChI： InChI=1S/C21H21F3O6/c1-28-18(26)12-11-17(14-7-6-10-16(25)13-14)30-19(27)20(29-2,21(22,23)24)15-8-4-3-5-9-15/h3-10,13,17,25H,11-12H2,1-2H3/t17-,20+/m0/s1
InChI key： QVLVPXIJUQKQSN-FXAWDEMLSA-N
SMILES： COC(=O)CC[C@H](OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)c1cccc(O)c1
Systematic name  (3)：
  • (S)-4-(3-ヒドロキシフェニル)-4-[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニルオキシ]酪酸メチル
  • メチル (4S)-4-(3-ヒドロキシフェニル)-4-{[(2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノイル]オキシ}ブタノアート
  • methyl (4S)-4-(3-hydroxyphenyl)-4-{[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}butanoate
Other name (1)：
  • (S)-4-(3-Hydroxyphenyl)-4-[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionyloxy]butyric acid methyl ester
Thsaurus map：
Thesaurus Map

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