[3-(4-fluoranylphenoxy)phenyl]methyl 2-[4-[bis(fluoranyl)methoxy]phenyl]-2-cyano-3-methyl-butanoate

Systemtic Name: [3-(4-fluoranylphenoxy)phenyl]methyl 2-[4-[bis(fluoranyl)methoxy]phenyl]-2-cyano-3-methyl-butanoate Openeye Name: [3-(4-fluorophenoxy)phenyl]methyl 2-cyano-2-[4-(difluoromethoxy)phenyl]-3-methyl-butanoate CAS Name: 2-cyano-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoic acid [3-(4-fluorophenoxy)phenyl]methyl ester IUPAC Name: [3-(4-fluorophenoxy)phenyl]methyl 2-cyano-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate Traditional Name: 2-cyano-2-[4-(difluoromethoxy)phenyl]-3-methyl-butyric acid [3-(4-fluorophenoxy)benzyl] ester Formula: C26H22F3NO4 MolecularWeight: 469.45239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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