(3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[3-(trifluoromethyloxy)phenyl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[3-(trifluoromethyloxy)phenyl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[3-(trifluoromethoxy)phenyl]butanoate CAS Name: 2-cyano-3-methyl-2-[3-(trifluoromethoxy)phenyl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[3-(trifluoromethoxy)phenyl]butanoate Traditional Name: 2-cyano-3-methyl-2-[3-(trifluoromethoxy)phenyl]butyric acid (3-phenoxybenzyl) ester Formula: C26H22F3NO4 MolecularWeight: 469.45239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC(=CC=C1)OC(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C#N)(C1=CC(=CC=C1)OC(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H22F3NO4/c1-18(2)25(17-30,20-9-7-13-23(15-20)34-26(27,28)29)24(31)32-16-19-8-6-12-22(14-19)33-21-10-4-3-5-11-21/h3-15,18H,16H2,1-2H3