2-[4-(3-Hydroxypropyl)-1-Piperazinyl]Ethyl [1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1H-Indol-3-Yl]Acetate

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Properties Simple | Detailed

Formula C28H34ClN3O5
IUPAC Name 7-(chloromethyl)-5,6-bis(2-hydroxyethynyl)-4-methyl-1,1a-dihydrocyclopropa[f]indolizin-2-one; 3-[[(e)-[1-(2-hydroxyethynyl)-3-methylene-aziridin-2-ylidene]methyl]amino]prop-1-yn-1-ol
Molecular Mass 528.040 g·mol−1
Heat of Formation -703.2 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 628.25 Å 3
Surface Area 437.03 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(4-(3-hydroxypropyl)-1-piperazinyl)ethyl ester
  • 2-(4-(3-hydroxypropyl)-1-piperazinyl)ethyl(1-(4-chlorobenzoyl)-5-methoxy-2-methyl)-3-indolylacetate
  • 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl ester
  • 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2-[4-(3-hydroxypropyl)-1-piperazinyl]ethyl ester
  • 2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate
  • 2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate
  • desproglumideproglumetacin
  • dppmt
CAS Number(s)
  • 97460-20-3
InChIKey OBJXIUDFDYEVAA-UHFFFAOYSA-N
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