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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]acetic acid methyl ester

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]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C23H23F3N2O6

inchi

  • InChI=1S/C23H23F3N2O6/c1-32-20(30)10-15-9-17-16-8-14(6-7-18(16)34-21(17)19(11-29)33-15)28-22(31)27-13-4-2-12(3-5-13)23(24,25)26/h2-8,15,17,19,21,29H,9-11H2,1H3,(H2,27,28,31)/t15-,17-,19-,21+/m0/s1

inchikey

  • MSQUSFAFSKSPPL-WRGRXTPVSA-N

mass

  • 480.435

monoisotopicmass

  • 480.15082

smiles

  • COC(=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:117503

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