(3R,4S)-N-[2-Chloro-5-(3-Methoxypropyl)Benzyl]-N-Cyclopropyl-4-{4-[2-(2,6-Dichloro-4-Methylphenoxy)Ethoxy]Phenyl}-3-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C35H41Cl3N2O4
IUPAC Name (3r,4s)-n-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-n-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]piperidine-3-carboxamide
Molecular Mass 660.070 g·mol−1
Heat of Formation -606.8 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 770.14 Å 3
Surface Area 528.64 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]nipecotamide
  • (3r,4s)-n-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-n-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]piperidine-3-carboxamide
  • (3r,4s)-n-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-n-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-3-piperidinecarboxamide
  • (3r,4s)-n-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-n-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-3-carboxamide
InChIKey RDCUZWVELSAOBC-IHLOFXLRSA-N
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Elements H C N O Cl