Varespladib Methyl

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Properties Simple | Detailed

Formula C22H22N2O5
IUPAC Name methyl 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-1-ium-2-ylium-4-yl)oxyacetate
Molecular Mass 394.420 g·mol−1
Heat of Formation -606.8 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 470.25 Å 3
Surface Area 383.98 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[1-(benzyl)-2-ethyl-3-oxamoyl-indol-4-yl]oxyacetic acid methyl ester
  • 2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid methyl ester
  • methyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyacetate
  • methyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoate
InChIKey VJYDOJXJUCJUHL-UHFFFAOYSA-N
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