Chem
J-GLOBAL ID:200907018300398622   Nikkaji number:J907.571B

3-[4-(4,4′-Diisobutylbenzhydrylamino)benzoyl]-4-isopropyl-1H-pyrrole-1-valeric acid

3-[4-(4,4′-ジイソブチルベンズヒドリルアミノ)ベンゾイル]-4-イソプロピル-1H-ピロール-1-吉草酸
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: C40H50N2O3
Molecular formula furigana: C40-H50-N2-O3
Molecular weight: 606.851
InChI: InChI=1S/C40H50N2O3/c1-27(2)23-30-10-14-32(15-11-30)39(33-16-12-31(13-17-33)24-28(3)4)41-35-20-18-34(19-21-35)40(45)37-26-42(25-36(37)29(5)6)22-8-7-9-38(43)44/h10-21,25-29,39,41H,7-9,22-24H2,1-6H3,(H,43,44)
InChI key: BOUZKEGMJOKDGB-UHFFFAOYSA-N
SMILES: CC(C)Cc1ccc(cc1)C(Nc1ccc(cc1)C(=O)c1cn(CCCCC(=O)O)cc1C(C)C)c1ccc(CC(C)C)cc1
Systematic name  (3):
  • 3-[4-(4,4′-ジイソブチルベンズヒドリルアミノ)ベンゾイル]-4-イソプロピル-1H-ピロール-1-吉草酸
  • 5-{3-[4-({ビス[4-(2-メチルプロピル)フェニル]メチル}アミノ)ベンゾイル]-4-(プロパン-2-イル)-1H-ピロール-1-イル}ペンタン酸
  • 5-{3-[4-({bis[4-(2-methylpropyl)phenyl]methyl}amino)benzoyl]-4-(propan-2-yl)-1H-pyrrol-1-yl}pentanoic acid
Other name (1):
  • 3-[4-(4,4′-Diisobutylbenzhydrylamino)benzoyl]-4-isopropyl-1H-pyrrole-1-valeric acid
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