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Concept information

organooxygen compound > ether > aromatic ether > 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > primary alcohol > 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione

Preferred term

3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione  

Type

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

charge

  • 0

formula

  • C17H22N2O4

inchi

  • InChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)

inchikey

  • KRLKPTMEUFJHKD-UHFFFAOYSA-N

mass

  • 318.36760

monoisotopicmass

  • 318.15796

smiles

  • CC(C)=CCOc1ccc(CC2NC(=O)C(CO)NC2=O)cc1

subset

  • 3_STAR

synonym EXACT

  • 3-(hydroxymethyl)-6-{4-[(3-methylbut-2-en-1-yl)oxy]benzyl}piperazine-2,5-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68077

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