{5-Methoxy-2-Methyl-1-[(2E)-3-Phenyl-2-Propenoyl]-1H-Indol-3-Yl}Acetic Acid

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Properties Simple | Detailed

Formula C21H19NO4
IUPAC Name 2-[5-methoxy-2-methyl-1-[(e)-3-phenylprop-2-enoyl]indol-3-yl]acetic acid
Molecular Mass 349.380 g·mol−1
Heat of Formation -419.7 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 414.52 Å 3
Surface Area 366.1 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cinnamoyl-2-methyl-5-methoxy-3-indolylacetic acid
  • 1-cinnamoyl-5-methoxy-2-methylindole-3-acetic acid
  • 1h-indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)- (9ci)
  • 2-[5-methoxy-2-methyl-1-[(e)-1-oxo-3-phenylprop-2-enyl]-3-indolyl]acetic acid
  • 2-[5-methoxy-2-methyl-1-[(e)-3-phenylacryloyl]indol-3-yl]acetic acid
  • 2-[5-methoxy-2-methyl-1-[(e)-3-phenylprop-2-enoyl]indol-3-yl]acetic acid
  • 2-[5-methoxy-2-methyl-1-[(e)-3-phenylprop-2-enoyl]indol-3-yl]ethanoic acid
  • 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)-1h-indole-3-acetic acid
  • cindomet
  • cinmetacin
  • cinmetacina [spanish]
  • cinmethacin
  • indolacin
  • indole-3-acetic acid, 1-cinnamoyl-5-methoxy-2-methyl-
CAS Number(s)
  • 20168-99-4
InChIKey NKPPORKKCMYYTO-DHZHZOJOSA-N
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