3-(2-{[(1S,2R,3R,4R)-3-{(E)-[(Phenylcarbamoyl)Hydrazono]Methyl}-7-Oxabicyclo[2.2.1]Hept-2-Yl]Methyl}Phenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C24H27N3O4
IUPAC Name 3-[2-[[(1s,2r,3r,4r)-3-[(e)-(phenylcarbamoylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
Molecular Mass 421.489 g·mol−1
Heat of Formation -433.5 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 509.26 Å 3
Surface Area 416.69 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((3-((((phenylamino)carbonyl)hydrazono)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)benzenepropanoic acid
  • 3-[2-[[(1s,4r,5r,6r)-5-[(e)-(phenylcarbamoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid
  • 3-[2-[[(1s,4r,5r,6r)-5-[(e)-(phenylcarbamoylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid
  • 3-[2-[[(1s,4r,5r,6r)-5-[(e)-(phenylcarbamoylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propionic acid
  • 3-[2-[[(1s,4r,5r,6r)-5-[(e)-[[oxo-(phenylamino)methyl]hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid
  • benzenepropanoic acid, 2-((3-((((phenylamino)carbonyl)hydrazono)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, (1s-(1alpha,2alpha,3alpha(e),4alpha))-
  • sq 35,091
  • sq 35091
CAS Number(s)
  • 135613-36-4
InChIKey OURMJLFLCWODMX-FXTVAMKPSA-N
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