Way Pem 420

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Properties Simple | Detailed

Formula C22H23NO3
IUPAC Name 2-[(1s,4r)-4-benzyl-1-ethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
Molecular Mass 349.423 g·mol−1
Heat of Formation -394.1 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 424.29 Å 3
Surface Area 357.67 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s,4r)-1-ethyl-4-(phenylmethyl)-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
  • 2-[(1s,4r)-1-ethyl-4-(phenylmethyl)-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]ethanoic acid
  • 2-[(1s,4r)-4-(benzyl)-1-ethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
  • d03727
  • d05404
  • dexpemedolac (usan)
  • pemedolac
  • pemedolac (usan)
InChIKey BUUODSZYUAZDIF-AOMKIAJQSA-N
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