(3-{(1R)-3-(3,4-Dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-Trimethoxyphenyl)Butanoyl]-2-Piperidinyl}Carbonyl)Oxy]Propyl}Phenoxy)Acetic Acid

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Properties Simple | Detailed

Formula C38H47NO11
IUPAC Name 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxy-propyl]phenoxy]acetic acid
Molecular Mass 693.780 g·mol−1
Heat of Formation -1698.7 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 837.29 Å 3
Surface Area 610.12 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl]carbonyloxy-propyl]phenoxy]ethanoic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxy-propyl]phenoxy]acetic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[oxo-[(2s)-1-[(2s)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinyl]methoxy]propyl]phenoxy]acetic acid
  • ap1
  • {3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid
InChIKey XCCRAOPQCACRFC-OIFRRMEBSA-N
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