(2S)-2-[2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-4-Biphenylyl)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C28H25NO6
IUPAC Name (2s)-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-oxo-butanoic acid
Molecular Mass 471.501 g·mol−1
Heat of Formation -755.6 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 550.46 Å 3
Surface Area 489.78 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-(1,3-diketoisoindolin-2-yl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-keto-butyric acid
  • (2s)-2-[2-(1,3-dioxo-2-isoindolinyl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-oxobutanoic acid
  • (2s)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-oxo-butanoic acid
  • (2s)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-oxobutanoic acid
  • (2s)-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-oxo-butanoic acid
  • 2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid
  • deo
InChIKey AQYSXARQCHHHLK-NRFANRHFSA-N
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