Chem
J-GLOBAL ID:200907024536192049   Nikkaji number:J947.765I

3-[3-[5-[[4-(7,7,7-Trifluoroheptyloxy)phenoxy]methyl]-1H-tetrazole-1-ylmethyl]phenyl]propionic acid

3-[3-[5-[[4-(7,7,7-トリフルオロヘプチルオキシ)フェノキシ]メチル]-1H-テトラゾール-1-イルメチル]フェニル]プロピオン酸
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: C25H29F3N4O4
Molecular formula furigana: C25-H29-F3-N4-O4
Molecular weight: 506.526
InChI: InChI=1S/C25H29F3N4O4/c26-25(27,28)14-3-1-2-4-15-35-21-9-11-22(12-10-21)36-18-23-29-30-31-32(23)17-20-7-5-6-19(16-20)8-13-24(33)34/h5-7,9-12,16H,1-4,8,13-15,17-18H2,(H,33,34)
InChI key: DBUHEBKCXZZJCS-UHFFFAOYSA-N
SMILES: OC(=O)CCc1cccc(Cn2nnnc2COc2ccc(OCCCCCCC(F)(F)F)cc2)c1
Systematic name  (3):
  • 3-[3-[5-[[4-(7,7,7-トリフルオロヘプチルオキシ)フェノキシ]メチル]-1H-テトラゾール-1-イルメチル]フェニル]プロピオン酸
  • 3-(3-{[5-({4-[(7,7,7-トリフルオロヘプチル)オキシ]フェノキシ}メチル)-1H-1,2,3,4-テトラゾール-1-イル]メチル}フェニル)プロパン酸
  • 3-(3-{[5-({4-[(7,7,7-trifluoroheptyl)oxy]phenoxy}methyl)-1H-1,2,3,4-tetrazol-1-yl]methyl}phenyl)propanoic acid
Other name (1):
  • 3-[3-[5-[[4-(7,7,7-Trifluoroheptyloxy)phenoxy]methyl]-1H-tetrazole-1-ylmethyl]phenyl]propionic acid
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