(5-{[(2R)-1-(4-{3-[(2-Methoxybenzyl)Oxy]Propoxy}Phenyl)-6-Oxo-2-Piperazinyl]Methoxy}-1H-Indol-1-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C32H33N3O7
IUPAC Name hydron; 2-[5-[[(2r)-1-[4-[(e)-3-[(2-methoxyphenyl)methoxy]prop-1-enoxy]phenyl]-6-oxo-piperazin-2-yl]methoxy]-2h-indol-1-ium-2-ylium-1-yl]acetic acid
Molecular Mass 573.636 g·mol−1
Heat of Formation -809.5 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 674.32 Å 3
Surface Area 526.49 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid
  • 2-[5-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-2-piperazinyl]methoxy]-1-indolyl]acetic acid
  • 2-[5-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-piperazin-2-yl]methoxy]indol-1-yl]acetic acid
  • 2-[5-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-piperazin-2-yl]methoxy]indol-1-yl]ethanoic acid
  • 2-[5-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]indol-1-yl]acetic acid
  • 2-[5-[[(2r)-6-keto-1-[4-[3-(2-methoxybenzyl)oxypropoxy]phenyl]piperazin-2-yl]methoxy]indol-1-yl]acetic acid
  • 3lg
InChIKey VWRBPASGKKTVFT-AREMUKBSSA-N
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