skip to main content

Chemistry, part 1

Content language

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

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C26H28F3N3O5

inchi

  • InChI=1S/C26H28F3N3O5/c27-26(28,29)15-3-5-16(6-4-15)31-25(35)32-17-7-8-21-19(9-17)20-10-18(36-22(13-33)24(20)37-21)11-23(34)30-12-14-1-2-14/h3-9,14,18,20,22,24,33H,1-2,10-13H2,(H,30,34)(H2,31,32,35)/t18-,20-,22-,24+/m0/s1

inchikey

  • POZMERGFKROZOJ-UYLMIGBBSA-N

mass

  • 519.514

monoisotopicmass

  • 519.19811

smiles

  • C1CC1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129998

Download this concept:

RDF/XML TURTLE JSON-LD