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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide

Preferred term

2-[(3r,6as,8r,10as)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(4-chlorophenyl)methyl]acetamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C26H30ClF3N2O4

inchi

  • InChI=1S/C26H30ClF3N2O4/c27-20-6-4-17(5-7-20)12-31-25(34)11-22-8-9-23-24(36-22)16-35-15-21(33)14-32(23)13-18-2-1-3-19(10-18)26(28,29)30/h1-7,10,21-24,33H,8-9,11-16H2,(H,31,34)/t21-,22-,23+,24-/m1/s1

inchikey

  • MKZVTDJRJDFKFH-JLLPCOHGSA-N

mass

  • 526.977

monoisotopicmass

  • 526.18462

smiles

  • C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125897

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