Ethyl (Ar,Gr,2S)-2-Carboxy-A,G-Dimethyl-D-Oxo-1-Indolinevalerate

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Properties Simple | Detailed

Formula C18H23NO5
IUPAC Name (2s)-1-[(2r,4r)-5-ethoxy-2,4-dimethyl-5-oxo-pentanoyl]indoline-2-carboxylic acid
Molecular Mass 333.379 g·mol−1
Heat of Formation -937.9 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 400.78 Å 3
Surface Area 328.78 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r,4r)-5-ethoxy-2,4-dimethyl-1,5-dioxopentyl]-2-indolinecarboxylic acid
  • (2s)-1-[(2r,4r)-5-ethoxy-2,4-dimethyl-5-oxo-pentanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2r,4r)-5-ethoxy-2,4-dimethyl-5-oxo-pentanoyl]indoline-2-carboxylic acid
  • (2s)-1-[(2r,4r)-5-ethoxy-2,4-dimethyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2r,4r)-5-ethoxy-5-keto-2,4-dimethyl-pentanoyl]indoline-2-carboxylic acid
  • cgs-13945
  • d03760
  • pentopril (usan)
InChIKey NVXFXLSOGLFXKQ-JMSVASOKSA-N
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