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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > 4,4,4-trifluoro-n-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > 4,4,4-trifluoro-n-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > 4,4,4-trifluoro-n-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

Preferred term

4,4,4-trifluoro-n-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38F3N3O5

inchi

  • InChI=1S/C29H38F3N3O5/c1-19-15-35(20(2)18-36)28(38)14-22-13-23(33-27(37)11-12-29(30,31)32)7-10-25(22)40-26(19)17-34(3)16-21-5-8-24(39-4)9-6-21/h5-10,13,19-20,26,36H,11-12,14-18H2,1-4H3,(H,33,37)/t19-,20-,26-/m1/s1

inchikey

  • IUJLOVQYFFXLDN-XMERXJNXSA-N

mass

  • 565.625

monoisotopicmass

  • 565.27636

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)CC3=CC=C(C=C3)OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111595

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