5-(2-ethoxyphenyl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 5-(2-ethoxyphenyl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-(2-ethoxyphenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 5-(2-ethoxyphenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-(2-ethoxyphenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 3-keto-4-methoxy-5-o-phenetyl-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C21H20F3NO3 MolecularWeight: 391.38361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CC(C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)OC

Isomeric SMILES

CCOC1=CC=CC=C1CC(C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)OC

InChI

InChI=1S/C21H20F3NO3/c1-3-28-18-10-5-4-7-15(18)12-19(27-2)20(26)17(13-25)14-8-6-9-16(11-14)21(22,23)24/h4-11,17,19H,3,12H2,1-2H3