4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-ethanoyl-phenoxy]butanenitrile

Systemtic Name: 4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-ethanoyl-phenoxy]butanenitrile Openeye Name: 4-[2-acetyl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenoxy]butanenitrile CAS Name: 4-[2-acetyl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenoxy]butanenitrile IUPAC Name: 4-[2-acetyl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenoxy]butanenitrile Traditional Name: 4-[2-acetyl-4-[3,5-bis(trifluoromethyl)benzyl]oxy-phenoxy]butyronitrile Formula: C21H17F6NO3 MolecularWeight: 445.354999

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OCCCC#N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OCCCC#N

InChI

InChI=1S/C21H17F6NO3/c1-13(29)18-11-17(4-5-19(18)30-7-3-2-6-28)31-12-14-8-15(20(22,23)24)10-16(9-14)21(25,26)27/h4-5,8-11H,2-3,7,12H2,1H3