Methyl 4-(2-Benzylbenzoyl)-2,5-Dimethyl-1H-Pyrrole-3-Carboxylate

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Properties Simple | Detailed

Formula C22H21NO3
IUPAC Name methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1h-pyrrole-3-carboxylate
Molecular Mass 347.407 g·mol−1
Heat of Formation -318.4 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 424.27 Å 3
Surface Area 315.83 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-, methyl ester
  • 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1h-pyrrole-3-carboxlic acid methyl ester
  • 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1h-pyrrole-3-carboxylic acid, methyl ester
  • 2,5-dimethyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1h-pyrrole-3-carboxylic acid methyl ester
  • 4-[2-(benzyl)benzoyl]-2,5-dimethyl-1h-pyrrole-3-carboxylic acid methyl ester
  • fpl 64176
  • fpl-64176
  • fpl64176
  • methyl 2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1h-pyrrole-3-carboxylate
  • methyl 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1h-pyrrole-3-carboxylate
  • methyl 2,5-dimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-1h-pyrrole-3-carboxylate
  • methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1h-pyrrole-3-carboxylate
  • tocris-1403
CAS Number(s)
  • 120934-96-5
InChIKey MDMWHKZANMNXTF-UHFFFAOYSA-N
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