[5-(3-{[7-Propyl-3-(Trifluoromethyl)-1,2-Benzoxazol-6-Yl]Oxy}Propoxy)-1H-Indol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C24H23F3N2O5
IUPAC Name 2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]-4h-indol-1-ium-4-id-1-yl]acetic acid
Molecular Mass 476.445 g·mol−1
Heat of Formation -1067.5 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 531.57 Å 3
Surface Area 473.92 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-[3-[7-propyl-3-(trifluoromethyl)indoxazen-6-yl]oxypropoxy]indol-1-yl]acetic acid
  • 2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]-1-indolyl]acetic acid
  • 2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid
  • 2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]ethanoic acid
  • 2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid
  • 3ea
  • bpr-1h-036
InChIKey TWVYNPULGKGJOS-UHFFFAOYSA-N
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