Chem
J-GLOBAL ID：201707007281079694
Nikkaji number：J3.637.469A
α,α,3-Trimethyl-1-(4-chlorobenzyl)-5-(2-fluoro-2′-methyl-4-biphenylyl)-1H-indole-2-propanoic acid
α,α,3-トリメチル-1-(4-クロロベンジル)-5-(2-フルオロ-2′-メチル-4-ビフェニリル)-1H-インドール-2-プロパン酸
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： C34H31ClFNO2
Molecular formula furigana： C34-H31-CL-F-N-O2
Molecular weight： 540.080
InChI：
InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
InChI key：
IYCJVTFMIQICDJ-UHFFFAOYSA-N
SMILES：
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)c1ccc(c(F)c1)c1ccccc1C
Systematic name (3)：
- α,α,3-トリメチル-1-(4-クロロベンジル)-5-(2-フルオロ-2′-メチル-4-ビフェニリル)-1H-インドール-2-プロパン酸
- 3-{1-[(4-クロロフェニル)メチル]-5-{2-フルオロ-2'-メチル-[1,1'-ビフェニル]-4-イル}-3-メチル-1H-インドール-2-イル}-2,2-ジメチルプロパン酸
- 3-{1-[(4-chlorophenyl)methyl]-5-{2-fluoro-2'-methyl-[1,1'-biphenyl]-4-yl}-3-methyl-1H-indol-2-yl}-2,2-dimethylpropanoic acid
- α,α,3-Trimethyl-1-(4-chlorobenzyl)-5-(2-fluoro-2′-methyl-4-biphenylyl)-1H-indole-2-propanoic acid
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