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

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-2-[4-(trifluoromethyloxy)phenyl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-2-[4-(trifluoromethoxy)phenyl]butanoate CAS Name: 2-cyano-2-[4-(trifluoromethoxy)phenyl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-2-[4-(trifluoromethoxy)phenyl]butanoate Traditional Name: 2-cyano-2-[4-(trifluoromethoxy)phenyl]butyric acid (3-phenoxybenzyl) ester Formula: C25H20F3NO4 MolecularWeight: 455.42581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20F3NO4/c1-2-24(17-29,19-11-13-21(14-12-19)33-25(26,27)28)23(30)31-16-18-7-6-10-22(15-18)32-20-8-4-3-5-9-20/h3-15H,2,16H2,1H3