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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(2-methoxyethyl)acetamide

Preferred term

2-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(2-methoxyethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28F3N3O6

inchi

  • InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19+,21-,23-/m0/s1

inchikey

  • JDHDHCLBKAEOSQ-FTJYFCJYSA-N

mass

  • 523.502

monoisotopicmass

  • 523.19302

smiles

  • COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99100

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