(2S)-3-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenoxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-propanamide

Systemtic Name: (2S)-3-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenoxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-propanamide Openeye Name: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxy-2-methyl-propanamide CAS Name: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(2,5-dioxo-1-pyrrolyl)phenoxy]-2-hydroxy-2-methylpropanamide IUPAC Name: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxy-2-methylpropanamide Traditional Name: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-maleimidophenoxy)-2-methyl-propionamide Formula: C22H16F3N3O5 MolecularWeight: 459.37475

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)N2C(=O)C=CC2=O)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

Isomeric SMILES

C[C@](COC1=CC=C(C=C1)N2C(=O)C=CC2=O)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

InChI

InChI=1S/C22H16F3N3O5/c1-21(32,20(31)27-14-3-2-13(11-26)17(10-14)22(23,24)25)12-33-16-6-4-15(5-7-16)28-18(29)8-9-19(28)30/h2-10,32H,12H2,1H3,(H,27,31)/t21-/m0/s1