4-Nitrobenzyl Allyl(1-{[(3S,4R)-1-(Cyclopentylcarbonyl)-4-Hydroxy-4-Phenyl-3-Pyrrolidinyl]Methyl}-4-Piperidinyl)Carbamate

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Properties Simple | Detailed

Formula C23H21N4O6
IUPAC Name nitronium; carbon dioxide; [1-ethynyl-3-[[4-ethynyl-2-(methylidyneammoniomethyl)-3-oxo-hex-5-ynyl]amino]prop-2-ynyl]-methylidyne-ammonium; prop-1-yne; prop-1-yn-1-ol
Molecular Mass 449.436 g·mol−1
Heat of Formation -558.2 ± 16.7 kJ·mol−1
Dipole Moment 9.97 ± 1.08 D
Volume 723.64 Å 3
Surface Area 587.57 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • (4-nitrophenyl)methyl n-[1-[[(3s,4r)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-n-prop-2-enylcarbamate
  • (4-nitrophenyl)methyl n-[1-[[(3s,4r)-1-cyclopentylcarbonyl-4-hydroxy-4-phenyl-pyrrolidin-3-yl]methyl]piperidin-4-yl]-n-prop-2-enyl-carbamate
  • (4-nitrophenyl)methyl n-allyl-n-[1-[[(3s,4r)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenyl-pyrrolidin-3-yl]methyl]-4-piperidyl]carbamate
  • carbamic acid, [1-[[(3s,4r)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl]2-propenyl-, (4-nitrophenyl)methyl ester
  • n-allyl-n-[1-[[(3s,4r)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenyl-pyrrolidin-3-yl]methyl]-4-piperidyl]carbamic acid (4-nitrobenzyl) ester
  • n-allyl-n-[1-[[(3s,4r)-1-(cyclopentyl-oxomethyl)-4-hydroxy-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl]carbamic acid (4-nitrophenyl)methyl ester
InChIKey JNSKQYZFEVKYDB-UVMMSNCQSA-N
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