Ethyl 5-(Benzyloxy)-4-(Methoxymethyl)-9H-β-Carboline-3-Carboxylate

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Properties Simple | Detailed

Formula C23H22N2O4
IUPAC Name ethyl 5-benzyloxy-4-(methoxymethyl)pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 390.432 g·mol−1
Heat of Formation -317.3 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 460.55 Å 3
Surface Area 380.05 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(methoxymethyl)-5-(phenylmethoxy)-9h-pyrido[5,4-b]indole-3-carboxylic acid ethyl ester
  • 5-(benzyloxy)-4-(methoxymethyl)-9h-$b-carboline-3-carboxylic acid ethyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 4-(methoxymethyl)-5-(phenylmethoxy)-, ethyl ester
  • ethyl 4-(methoxymethyl)-5-(phenylmethoxy)-9h-pyrido[5,4-b]indole-3-carboxylate
  • ethyl 5-benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylate
  • pdsp1_001770
  • pdsp2_001753
  • zk 91296
  • zk-91296
CAS Number(s)
  • 83910-34-3
InChIKey WFPXOWCKXUEKCA-UHFFFAOYSA-N
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