4-[(2S)-7-[(2,2-Dimethylpropanoyl)Oxy]-4-Methyl-2-{4-[2-(1-Piperidinyl)Ethoxy]Phenyl}-2H-Chromen-3-Yl]Phenyl Pivalate

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Properties Simple | Detailed

Formula C39H47NO6
IUPAC Name [4-[(2s)-7-(2,2-dimethylpropanoyloxy)-4-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2h-chromen-3-yl]phenyl] 2,2-dimethylpropanoate
Molecular Mass 625.794 g·mol−1
Heat of Formation -920.3 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 785.52 Å 3
Surface Area 647.67 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [(2s)-3-[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-4-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2h-chromen-7-yl] ester
  • 2,2-dimethylpropionic acid [(2s)-4-methyl-2-[4-(2-piperidinoethoxy)phenyl]-3-(4-pivaloyloxyphenyl)-2h-chromen-7-yl] ester
  • [(2s)-3-[4-(2,2-dimethylpropanoyloxy)phenyl]-4-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2h-chromen-7-yl] 2,2-dimethylpropanoate
InChIKey OEKMGABCSLYWOP-DHUJRADRSA-N
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