({6-Methyl-5-[2-({(E)-[Phenyl(3-Pyridinyl)Methylene]Amino}Oxy)Ethyl]-7,8-Dihydro-1-Naphthalenyl}Oxy)Acetic Acid

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Properties Simple | Detailed

Formula C27H26N2O4
IUPAC Name 2-[[5-[2-[(e)-[2,3-dihydropyridin-2-ylium-3-id-5-yl(phenyl)methylene]amino]oxyethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
Molecular Mass 442.506 g·mol−1
Heat of Formation 232.4 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 528.37 Å 3
Surface Area 390.8 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (7,8-dihydro-5-((e)-((a-(3-pyridyl)benzylidene)aminooxy)ethyl)-1-naphthyloxy)acetic acid
  • 2-[[6-methyl-5-[2-[(phenyl-pyridin-3-yl-methylidene)amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]ethanoic acid
  • 2-[[6-methyl-5-[2-[(phenyl-pyridin-3-ylmethylidene)amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
  • 2-[[6-methyl-5-[2-[[phenyl-(3-pyridyl)methylene]amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
  • acetic acid, ((7,8-dihydro-6-methyl-5-(2-(((phenyl-3-pyridinylmethylene)amino)oxy)ethyl)-1-naphthalenyl)oxy)-
  • ono 1301
  • pdsp1_001693
  • pdsp2_001676
CAS Number(s)
  • 176391-41-6
InChIKey VSVQEQDGOFPGAT-ORIPQNMZSA-N
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