(4Z)-6-[(1R,2R,5R)-2-(4-Biphenylylmethoxy)-5-(1-Piperidinyl)Cyclopentyl]-4-Hexenoic Acid

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Properties Simple | Detailed

Formula C29H37NO3
IUPAC Name (z)-6-[(1r,2r,5r)-2-[(4-phenylphenyl)methoxy]-5-(1-piperidyl)cyclopentyl]hex-4-enoic acid
Molecular Mass 447.609 g·mol−1
Heat of Formation -46.3 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 568.26 Å 3
Surface Area 394.34 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-6-[(1r,2r,5r)-2-(4-phenylbenzyl)oxy-5-piperidino-cyclopentyl]hex-4-enoic acid
  • (z)-6-[(1r,2r,5r)-2-[(4-phenylphenyl)methoxy]-5-(1-piperidyl)cyclopentyl]hex-4-enoic acid
  • (z)-6-[(1r,2r,5r)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-yl-cyclopentyl]hex-4-enoic acid
  • (z)-6-[(1r,2r,5r)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]hex-4-enoic acid
  • 4-hexenoic acid, 6-(2-((1,1'-biphenyl)-4-ylmethoxy)-5-(1-piperidinyl)cyclopentyl)-, (1r-(1alpha(z),2alpha,5beta))-
  • gr 36246
CAS Number(s)
  • 132461-41-7
InChIKey OIRAMMLFTXVNIT-ZOFIRBRHSA-N
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