(2S)-2-(2-{[1-(4-Methoxybenzoyl)-2-Methyl-5-(Trifluoromethoxy)-1H-Indol-3-Yl]Methyl}Phenoxy)Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C28H24F3NO6
IUPAC Name (2s)-2-[2-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
Molecular Mass 527.488 g·mol−1
Heat of Formation -1413.5 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 581.43 Å 3
Surface Area 463.74 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
  • (2s)-2-[2-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propionic acid
  • (2s)-2-[2-[[1-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
  • (2s)-2-[2-[[1-[(4-methoxyphenyl)-oxomethyl]-2-methyl-5-(trifluoromethoxy)-3-indolyl]methyl]phenoxy]propanoic acid
InChIKey BWTOBMCYVACNJZ-KRWDZBQOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F