5-[4-[bis(fluoranyl)methoxy]phenyl]-5-methyl-2-(3-phenoxyphenyl)hexanenitrile

Systemtic Name: 5-[4-[bis(fluoranyl)methoxy]phenyl]-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Openeye Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-2-(3-phenoxyphenyl)hexanenitrile CAS Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-2-(3-phenoxyphenyl)hexanenitrile IUPAC Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Traditional Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Formula: C26H25F2NO2 MolecularWeight: 421.479006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CC(C)(CCC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C26H25F2NO2/c1-26(2,21-11-13-23(14-12-21)31-25(27)28)16-15-20(18-29)19-7-6-10-24(17-19)30-22-8-4-3-5-9-22/h3-14,17,20,25H,15-16H2,1-2H3