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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,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-[(2,5-difluorophenyl)methyl]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-[(2,5-difluorophenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H26F5N3O5

inchi

  • InChI=1S/C29H26F5N3O5/c30-17-3-7-23(31)15(9-17)13-35-26(39)12-20-11-22-21-10-19(6-8-24(21)42-27(22)25(14-38)41-20)37-28(40)36-18-4-1-16(2-5-18)29(32,33)34/h1-10,20,22,25,27,38H,11-14H2,(H,35,39)(H2,36,37,40)/t20-,22-,25-,27+/m0/s1

inchikey

  • ZUHKGHKDCFDVCR-YSDDDFLKSA-N

mass

  • 591.527

monoisotopicmass

  • 591.17926

smiles

  • C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99663

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