Chem
J-GLOBAL ID：200907001006155690   Nikkaji number：J390.098C

AGN-190121

AGN-190121
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： C20H22O2
Molecular formula furigana： C20-H22-O2
Molecular weight： 294.394
InChI： InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)
InChI key： BNVDMMYUHOFRII-UHFFFAOYSA-N
SMILES： CC1=C(C=CC#Cc2ccc(cc2)C(=O)O)C(C)(C)CCC1
Systematic name  (3)：
  • 4-[4-(2,6,6-トリメチル-1-シクロヘキセニル)-3-ブテン-1-イニル]安息香酸
  • 4-[4-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ブタ-3-エン-1-イン-1-イル]安息香酸
  • 4-[4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-yn-1-yl]benzoic acid
Other name (2)：
  • AGN-190121
  • 4-[4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-1-ynyl]benzoic acid
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