(3-phenoxyphenyl)methyl 2-cyano-3,3-dimethyl-2-[4-(trifluoromethyloxy)phenyl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-3,3-dimethyl-2-[4-(trifluoromethyloxy)phenyl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-3,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]butanoate CAS Name: 2-cyano-3,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-3,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]butanoate Traditional Name: 2-cyano-3,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]butyric acid (3-phenoxybenzyl) ester Formula: C27H24F3NO4 MolecularWeight: 483.47897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24F3NO4/c1-25(2,3)26(18-31,20-12-14-22(15-13-20)35-27(28,29)30)24(32)33-17-19-8-7-11-23(16-19)34-21-9-5-4-6-10-21/h4-16H,17H2,1-3H3