tert-butyl 6-[[4-(4-acetyloxy-2-cyano-phenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate

Systemtic Name: tert-butyl 6-[[4-(4-acetyloxy-2-cyano-phenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 6-[[4-(4-acetoxy-2-cyano-phenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate CAS Name: 6-[[4-(4-acetyloxy-2-cyanophenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(4-acetyloxy-2-cyanophenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate Traditional Name: 6-[[4-(4-acetoxy-2-cyano-phenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C28H24F3NO6 MolecularWeight: 527.48847

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C28H24F3NO6/c1-16(33)37-21-10-11-22(19(13-21)14-32)17-5-8-20(9-6-17)36-15-18-7-12-23(28(29,30)31)25(34)24(18)26(35)38-27(2,3)4/h5-13,34H,15H2,1-4H3