{3-[(1R)-1-{[(3,4-Dichlorophenyl)Acetyl](Methyl)Amino}-2-(1-Pyrrolidinyl)Ethyl]Phenoxy}Acetic Acid

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Formula C23H26Cl2N2O4
IUPAC Name 2-[3-[(1r)-1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid
Molecular Mass 465.370 g·mol−1
Heat of Formation -583.3 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 543.42 Å 3
Surface Area 455.49 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(1r)-1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]ethanoic acid
  • 2-[3-[(1r)-1-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-2-1-pyrrolidinylethyl]phenoxy]acetic acid
  • 2-[3-[(1r)-1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid
  • 2-[3-[(1r)-1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
  • tocris-0822
InChIKey JKYJSFISYHSNOE-NRFANRHFSA-N
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