Isopropyl (2R,4S)-4-{Acetyl[3,5-Bis(Trifluoromethyl)Benzyl]Amino}-2-Ethyl-6-(Trifluoromethyl)-3,4-Dihydro-1(2H)-Quinolinecarboxylate

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Properties Simple | Detailed

Formula C27H27F9N2O3
IUPAC Name isopropyl (2r,4s)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylate
Molecular Mass 598.501 g·mol−1
Heat of Formation -2493.7 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 654.98 Å 3
Surface Area 479.38 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-4-[acetyl-[3,5-bis(trifluoromethyl)benzyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylic acid isopropyl ester
  • (2r,4s)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylic acid isopropyl ester
  • isopropyl (2r,4s)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylate
  • propan-2-yl (2r,4s)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethanoyl-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylate
  • propan-2-yl (2r,4s)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylate
InChIKey TUPKOWFPVAXQFP-OFNKIYASSA-N
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