Chem
J-GLOBAL ID：200907033639047801   Nikkaji number：J974.045G

CP-195543

CP-195543
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： C24H19F3O4
Molecular formula furigana： C24-H19-F3-O4
Molecular weight： 428.407
InChI： InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1
InChI key： NZQDWKCNBOELAI-KSFYIVLOSA-N
SMILES： O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)c1cc(ccc1C(=O)O)C(F)(F)F
Systematic name  (3)：
  • 2-[[(3S,4R)-3,4-ジヒドロ-4-ヒドロキシ-3α-ベンジル-2H-1-ベンゾピラン]-7-イル]-4-(トリフルオロメチル)安息香酸
  • 2-[(3S,4R)-3-ベンジル-4-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル]-4-(トリフルオロメチル)安息香酸
  • 2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid
Other name (2)：
  • 2-[[(3S,4R)-3,4-Dihydro-4-hydroxy-3α-benzyl-2H-1-benzopyran]-7-yl]-4-(trifluoromethyl)benzoic acid
  • CP-195543
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