Chem
J-GLOBAL ID：200907045236645219   Nikkaji number：J696.733G

4-[[2-Butyl-5-[[[(4Z)-2,5-dioxo-1-butyl-3-[2-naphthylmethyl]tetrahydro-1H-imidazol]-4-ylidene]methyl]-1H-imidazol-1-yl]methyl]benzoic acid methyl ester

メチル 4-[(2-ブチル-5-{[(4Z)-1-ブチル-3-[(ナフタレン-2-イル)メチル]-2,5-ジオキソイミダゾリジン-4-イリデン]メチル}-1H-イミダゾール-1-イル)メチル]ベンゾアート
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： C35H38N4O4
Molecular formula furigana： C35-H38-N4-O4
Molecular weight： 578.713
InChI： InChI=1S/C35H38N4O4/c1-4-6-12-32-36-22-30(38(32)23-25-13-17-28(18-14-25)34(41)43-3)21-31-33(40)37(19-7-5-2)35(42)39(31)24-26-15-16-27-10-8-9-11-29(27)20-26/h8-11,13-18,20-22H,4-7,12,19,23-24H2,1-3H3/b31-21-
InChI key： WVOPASLTPNSNDT-YQYKVWLJSA-N
SMILES： CCCCN1C(=O)N(Cc2ccc3ccccc3c2)/C(=C\c2cnc(CCCC)n2Cc2ccc(cc2)C(=O)OC)/C1=O
Systematic name  (3)：
  • 4-[[2-ブチル-5-[[[(4Z)-2,5-ジオキソ-1-ブチル-3-[2-ナフチルメチル]テトラヒドロ-1H-イミダゾール]-4-イリデン]メチル]-1H-イミダゾール-1-イル]メチル]安息香酸メチル
  • メチル 4-[(2-ブチル-5-{[(4Z)-1-ブチル-3-[(ナフタレン-2-イル)メチル]-2,5-ジオキソイミダゾリジン-4-イリデン]メチル}-1H-イミダゾール-1-イル)メチル]ベンゾアート
  • methyl 4-[(2-butyl-5-{[(4Z)-1-butyl-3-[(naphthalen-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-imidazol-1-yl)methyl]benzoate
Other name (1)：
  • 4-[[2-Butyl-5-[[[(4Z)-2,5-dioxo-1-butyl-3-[2-naphthylmethyl]tetrahydro-1H-imidazol]-4-ylidene]methyl]-1H-imidazol-1-yl]methyl]benzoic acid methyl ester
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