3-Fluoro-4-{[(2S)-2-Hydroxy-2-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Acetyl]Amino}Benzoic Acid

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Formula C23H26FNO4
IUPAC Name 3-fluoro-4-[[(2s)-2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)acetyl]amino]benzoic acid
Molecular Mass 399.455 g·mol−1
Heat of Formation -894.9 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 482.76 Å 3
Surface Area 395.52 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
  • 3-fluoro-4-[[(2s)-2-hydroxy-1-oxo-2-(1,1,4,4-tetramethyl-6-tetralinyl)ethyl]amino]benzoic acid
  • 3-fluoro-4-[[(2s)-2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)acetyl]amino]benzoic acid
  • 3-fluoro-4-[[(2s)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
  • 3-fluoro-4-[[(2s)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanoyl]amino]benzoic acid
  • bms270395
  • bms961
  • s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
InChIKey AANFHDFOMFRLLR-IBGZPJMESA-N
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