3-[1-(4-Chlorobenzyl)-3-(3,3-Dimethylbutanoyl)-5-(2-Quinolinylmethoxy)-1H-Indol-2-Yl]-2,2-Dimethylpropanoic Acid

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Formula C36H37ClN2O4
IUPAC Name 3-[1-[(4-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
Molecular Mass 597.143 g·mol−1
Heat of Formation -473.5 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 720.0 Å 3
Surface Area 568.84 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((4-chlorophenyl)methyl)-3-(3,3-dimethyl-1-oxobutyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-1h-indole-2-propanoic acid
  • 1h-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-(3,3-dimethyl-1-oxobutyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-
  • 3-[1-(4-chlorobenzyl)-3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid
  • 3-[1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-1-oxobutyl)-5-(2-quinolylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid
  • 3-[1-[(4-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[1-[(4-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[1-[(4-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
  • l 689,037
  • l 689037
  • l-689,037
  • l-689037
CAS Number(s)
  • 136668-50-3
InChIKey IUHIISLXVJPCRU-UHFFFAOYSA-N
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