[(1R)-5-Cyano-8-Methyl-1-Propyl-1,3,4,9-Tetrahydropyrano[3,4-B]Indol-1-Yl]Acetic Acid

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Formula C18H20N2O3
IUPAC Name 2-[(1r)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
Molecular Mass 312.363 g·mol−1
Heat of Formation -392.4 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 380.13 Å 3
Surface Area 327.81 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (5-cyano-8-methyl-1-propyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid
  • 2-[(1r)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
  • 2-[(1r)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]ethanoic acid
  • hcv-371
  • pyrano[3,4-b]indole-1-acetic acid, 5-cyano-1,3,4,9-tetrahydro-8-methyl-1-propyl-, (1r)-
InChIKey JXZYSNWHGBGZAI-GOSISDBHSA-N
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