2-[2-ethyl-5-oxidanyl-4-[3-(trifluoromethyl)phenyl]phenoxy]-7-methyl-octanenitrile

Systemtic Name: 2-[2-ethyl-5-oxidanyl-4-[3-(trifluoromethyl)phenyl]phenoxy]-7-methyl-octanenitrile Openeye Name: 2-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-7-methyl-octanenitrile CAS Name: 2-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-7-methyloctanenitrile IUPAC Name: 2-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-7-methyloctanenitrile Traditional Name: 2-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-7-methyl-caprylonitrile Formula: C24H28F3NO2 MolecularWeight: 419.47983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)O)OC(CCCCC(C)C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)O)OC(CCCCC(C)C)C#N

InChI

InChI=1S/C24H28F3NO2/c1-4-17-13-21(18-9-7-10-19(12-18)24(25,26)27)22(29)14-23(17)30-20(15-28)11-6-5-8-16(2)3/h7,9-10,12-14,16,20,29H,4-6,8,11H2,1-3H3