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

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Properties Simple | Detailed

Formula C32H41NO9
IUPAC Name 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbonyl]oxy-propyl]phenoxy]acetic acid
Molecular Mass 583.669 g·mol−1
Heat of Formation -1479.4 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 711.46 Å 3
Surface Area 570.01 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbonyl]oxy-propyl]phenoxy]acetic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidin-2-yl]carbonyloxy-propyl]phenoxy]ethanoic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbonyl]oxy-propyl]phenoxy]acetic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
  • 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[[(2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinyl]-oxomethoxy]propyl]phenoxy]acetic acid
InChIKey CKUAMXWZIHXZJC-LOSJGSFVSA-N
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