Ethyl (4-{[(2R,4S)-2-[2-(4-Chlorophenyl)Ethyl]-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy}Phenyl)Carbamate

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Properties Simple | Detailed

Formula C25H28ClN3O5
IUPAC Name ethyl n-[4-[[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]carbamate
Molecular Mass 485.960 g·mol−1
Heat of Formation -629.6 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 559.19 Å 3
Surface Area 490.41 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-(4-chlorophenyl)ethyl)-2-(1h-imidazol-1-ylmethyl)-4-((4-ethoxycarbonylaminophenoxy)methyl)-1,3-dioxolane
  • carbamic acid, (4-((2-(2-(4-chlorophenyl)ethyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, ethyl ester, cis-(+-)-
  • ethyl n-[4-[[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]carbamate
  • n-[4-[[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]carbamic acid ethyl ester
  • n-[4-[[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]carbamic acid ethyl ester
  • rs 49676
  • rs-49676
CAS Number(s)
  • 111962-89-1
InChIKey IYUDMVFWAXEVJA-UKILVPOCSA-N
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