Methyl (1R,3R)-1-(1,3-Benzodioxol-5-Yl)-2-(Chloroacetyl)-2,3,4,9-Tetrahydro-1H-β-Carboline-3-Carboxylate

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Formula C22H19ClN2O5
IUPAC Name methyl (1r,3r)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Molecular Mass 426.850 g·mol−1
Heat of Formation -528.5 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 464.13 Å 3
Surface Area 370.5 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-1-(1,3-benzodioxol-5-yl)-2-(2-chloro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[5,4-b]indole-3-carboxylic acid methyl ester
  • (1r,3r)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester
  • methyl (1r,3r)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[5,4-b]indole-3-carboxylate
  • methyl (1r,3r)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroethanoyl)-1,3,4,9-tetrahydropyrido[5,4-b]indole-3-carboxylate
InChIKey JUKHNCNDFOAFLT-IIBYNOLFSA-N
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Elements H C N O Cl