(2S)-3-(4-acetamidophenoxy)-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-propanamide

Systemtic Name: (2S)-3-(4-acetamidophenoxy)-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-propanamide Openeye Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-propanamide CAS Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide IUPAC Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide Traditional Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-propionamide Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)O

InChI

InChI=1S/C20H18F3N3O4/c1-12(27)25-13-4-7-15(8-5-13)30-11-19(2,29)18(28)26-14-6-9-17(24-3)16(10-14)20(21,22)23/h4-10,29H,11H2,1-2H3,(H,25,27)(H,26,28)/t19-/m0/s1