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

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Properties Simple | Detailed

Formula C33H37N3O7
IUPAC Name methyl 2-[6-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-piperazin-2-yl]methoxy]-7h-indol-1-ium-7-id-1-yl]acetate
Molecular Mass 587.663 g·mol−1
Heat of Formation -778.6 ± 16.7 kJ·mol−1
Dipole Moment 0.98 ± 1.08 D
Volume 711.88 Å 3
Surface Area 543.38 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[6-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-2-piperazinyl]methoxy]-1-indolyl]acetic acid methyl ester
  • 2-[6-[[(2r)-6-keto-1-[4-[3-(2-methoxybenzyl)oxypropoxy]phenyl]piperazin-2-yl]methoxy]indol-1-yl]acetic acid methyl ester
  • 4lg
  • methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
  • methyl 2-[6-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-piperazin-2-yl]methoxy]indol-1-yl]acetate
  • methyl 2-[6-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxo-piperazin-2-yl]methoxy]indol-1-yl]ethanoate
  • methyl 2-[6-[[(2r)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]indol-1-yl]acetate
InChIKey KWJWTGNGIVRJJK-HHHXNRCGSA-N
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