Chem
J-GLOBAL ID：200907016972743538   Nikkaji number：J640.416B

AGN-191554

4-[2-(4,4-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル)エチニル]安息香酸
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： C20H18O3
Molecular formula furigana： C20-H18-O3
Molecular weight： 306.361
InChI： InChI=1S/C20H18O3/c1-20(2)11-12-23-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(21)22/h5-10,13H,11-12H2,1-2H3,(H,21,22)
InChI key： BWUCWEAVZMFADA-UHFFFAOYSA-N
SMILES： CC1(C)CCOc2cc(ccc12)C#Cc1ccc(cc1)C(=O)O
Systematic name  (3)：
  • 4-[[(3,4-ジヒドロ-4,4-ジメチル-2H-1-ベンゾピラン)-7-イル]エチニル]安息香酸
  • 4-[2-(4,4-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル)エチニル]安息香酸
  • 4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl)ethynyl]benzoic acid
Other name (1)：
  • AGN-191554
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