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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one

Preferred term

4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C23H25NO4

inchi

  • InChI=1S/C23H25NO4/c1-4-15-5-6-19-18(12-23(25)28-20(19)9-15)14-24-8-7-16-10-21(26-2)22(27-3)11-17(16)13-24/h5-6,9-12H,4,7-8,13-14H2,1-3H3

inchikey

  • NNKOHTRHDXDDIU-UHFFFAOYSA-N

mass

  • 379.450

monoisotopicmass

  • 379.17836

smiles

  • CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93669

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