Chem
J-GLOBAL ID：201407022531442010   Nikkaji number：J3.285.960G

ONO-AE3-240

2-[2-[[4-メチル-2-(1-ナフチル)ペンタノイル]アミノ]-4-(1H-ピラゾール-1-イルメチル)ベンジル]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： C34H33N3O3
Molecular formula furigana： C34-H33-N3-O3
Molecular weight： 531.656
InChI： InChI=1S/C34H33N3O3/c1-23(2)19-31(30-14-7-11-25-9-3-5-12-28(25)30)33(38)36-32-20-24(22-37-18-8-17-35-37)15-16-27(32)21-26-10-4-6-13-29(26)34(39)40/h3-18,20,23,31H,19,21-22H2,1-2H3,(H,36,38)(H,39,40)
InChI key： WXTQSWUTEXDKIF-UHFFFAOYSA-N
SMILES： CC(C)CC(C(=O)Nc1cc(Cn2cccn2)ccc1Cc1ccccc1C(=O)O)c1cccc2ccccc12
Systematic name  (3)：
  • 2-[2-[[4-メチル-2-(1-ナフチル)ペンタノイル]アミノ]-4-(1H-ピラゾール-1-イルメチル)ベンジル]安息香酸
  • 2-({2-[4-メチル-2-(ナフタレン-1-イル)ペンタンアミド]-4-[(1H-ピラゾール-1-イル)メチル]フェニル}メチル)安息香酸
  • 2-({2-[4-methyl-2-(naphthalen-1-yl)pentanamido]-4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)benzoic acid
Other name (2)：
  • 2-[2-[[4-Methyl-2-(1-naphthyl)pentanoyl]amino]-4-(1H-pyrazole-1-ylmethyl)benzyl]benzoic acid
  • ONO-AE3-240
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