Chem
J-GLOBAL ID:200907049939688993   Nikkaji number:J685.653E

AGN-191347

4-[(E)-(2,3,5,6,7,8-ヘキサヒドロ-5,5,8,8-テトラメチル-1H-ベンゾ[f]インデン)-1-イリデンメチル]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: C25H28O2
Molecular formula furigana: C25-H28-O2
Molecular weight: 360.497
InChI: InChI=1S/C25H28O2/c1-24(2)11-12-25(3,4)22-15-20-18(9-10-19(20)14-21(22)24)13-16-5-7-17(8-6-16)23(26)27/h5-8,13-15H,9-12H2,1-4H3,(H,26,27)/b18-13+
InChI key: GSEDYDKZYWSPMV-QGOAFFKASA-N
SMILES: CC1(C)CCC(C)(C)c2cc3/C(=C/c4ccc(cc4)C(=O)O)/CCc3cc12
Systematic name  (3):
  • 4-[(E)-(2,3,5,6,7,8-ヘキサヒドロ-5,5,8,8-テトラメチル-1H-ベンゾ[f]インデン)-1-イリデンメチル]安息香酸
  • 4-{[(1E)-5,5,8,8-テトラメチル-1H,2H,3H,5H,6H,7H,8H-シクロペンタ[b]ナフタレン-1-イリデン]メチル}安息香酸
  • 4-{[(1E)-5,5,8,8-tetramethyl-1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]naphthalen-1-ylidene]methyl}benzoic acid
Other name (2):
  • AGN-191347
  • 4-[(E)-(2,3,5,6,7,8-Hexahydro-5,5,8,8-tetramethyl-1H-benz[f]inden)-1-ylidenemethyl]benzoic acid
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