Chem
J-GLOBAL ID:200907048834247235   Nikkaji number:J571.027H

4′-[[6-(Valerylamino)-2-butyl-1H-benzimidazol-1-yl]methyl]-1,1′-biphenyl-2-carboxylic acid

4′-[[6-(バレリルアミノ)-2-ブチル-1H-ベンゾイミダゾール-1-イル]メチル]-1,1′-ビフェニル-2-カルボン酸
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: C30H33N3O3
Molecular formula furigana: C30-H33-N3-O3
Molecular weight: 483.612
InChI: InChI=1S/C30H33N3O3/c1-3-5-11-28-32-26-18-17-23(31-29(34)12-6-4-2)19-27(26)33(28)20-21-13-15-22(16-14-21)24-9-7-8-10-25(24)30(35)36/h7-10,13-19H,3-6,11-12,20H2,1-2H3,(H,31,34)(H,35,36)
InChI key: UDNCFCSUOHOBDK-UHFFFAOYSA-N
SMILES: CCCCC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(cc3)c3ccccc3C(=O)O)c2c1
Systematic name  (3):
  • 4′-[[6-(バレリルアミノ)-2-ブチル-1H-ベンゾイミダゾール-1-イル]メチル]-1,1′-ビフェニル-2-カルボン酸
  • 4'-[(2-ブチル-6-ペンタンアミド-1H-1,3-ベンゾジアゾール-1-イル)メチル]-[1,1'-ビフェニル]-2-カルボン酸
  • 4'-[(2-butyl-6-pentanamido-1H-1,3-benzodiazol-1-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid
Other name (1):
  • 4′-[[6-(Valerylamino)-2-butyl-1H-benzimidazol-1-yl]methyl]-1,1′-biphenyl-2-carboxylic acid
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