skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ether > aromatic ether > 2-[(1s,3s,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(4-phenoxyphenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 2-[(1s,3s,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(4-phenoxyphenyl)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 > aromatic ether > 2-[(1s,3s,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(4-phenoxyphenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 2-[(1s,3s,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(4-phenoxyphenyl)methyl]acetamide

Preferred term

2-[(1s,3s,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(4-phenoxyphenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C34H32FN3O6

inchi

  • InChI=1S/C34H32FN3O6/c35-28-8-4-5-9-29(28)38-34(41)37-22-12-15-30-26(16-22)27-17-25(43-31(20-39)33(27)44-30)18-32(40)36-19-21-10-13-24(14-11-21)42-23-6-2-1-3-7-23/h1-16,25,27,31,33,39H,17-20H2,(H,36,40)(H2,37,38,41)/t25-,27+,31-,33-/m0/s1

inchikey

  • DKMWIPSTNBBBEH-PAVOZPKOSA-N

mass

  • 597.634

monoisotopicmass

  • 597.22751

smiles

  • C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122965

Download this concept:

RDF/XML TURTLE JSON-LD