Chem
J-GLOBAL ID：200907011362918377
Nikkaji number：J2.048.109I
2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-3-fluorophenoxy]-5-bromobenzoic acid
2-[2-[3-(トリフルオロメチル)-4-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニルアミノメチル]-3-フルオロフェノキシ]-5-ブロモ安息香酸
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
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
Molecular formula： C32H25BrF7N3O3
Molecular formula furigana： C32-H25-BR-F7-N3-O3
Molecular weight： 712.463
InChI：
InChI=1S/C32H25BrF7N3O3/c33-20-7-10-29(23(16-20)30(44)45)46-28-6-2-5-26(34)24(28)18-41-21-8-9-27(25(17-21)32(38,39)40)43-13-11-42(12-14-43)22-4-1-3-19(15-22)31(35,36)37/h1-10,15-17,41H,11-14,18H2,(H,44,45)
InChI key：
IFRMQBHHGNSEOO-UHFFFAOYSA-N
SMILES：
OC(=O)c1cc(Br)ccc1Oc1cccc(F)c1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F
Systematic name (3)：
- 2-[2-[3-(トリフルオロメチル)-4-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニルアミノメチル]-3-フルオロフェノキシ]-5-ブロモ安息香酸
- 5-ブロモ-2-[3-フルオロ-2-({[3-(トリフルオロメチル)-4-{4-[3-(トリフルオロメチル)フェニル]ピペラジン-1-イル}フェニル]アミノ}メチル)フェノキシ]安息香酸
- 5-bromo-2-[3-fluoro-2-({[3-(trifluoromethyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]amino}methyl)phenoxy]benzoic acid
- 2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-3-fluorophenoxy]-5-bromobenzoic acid
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