5-(3-butylnaphthalen-1-yl)-4-methoxy-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile

Systemtic Name: 5-(3-butylnaphthalen-1-yl)-4-methoxy-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile Openeye Name: 5-(3-butyl-1-naphthyl)-4-methoxy-3-oxo-2-(trifluoromethyl)pentanenitrile CAS Name: 5-(3-butyl-1-naphthalenyl)-4-methoxy-3-oxo-2-(trifluoromethyl)pentanenitrile IUPAC Name: 5-(3-butylnaphthalen-1-yl)-4-methoxy-3-oxo-2-(trifluoromethyl)pentanenitrile Traditional Name: 5-(3-butyl-1-naphthyl)-3-keto-4-methoxy-2-(trifluoromethyl)valeronitrile Formula: C21H22F3NO2 MolecularWeight: 377.40009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=C1)CC(C(=O)C(C#N)C(F)(F)F)OC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=C1)CC(C(=O)C(C#N)C(F)(F)F)OC

InChI

InChI=1S/C21H22F3NO2/c1-3-4-7-14-10-15-8-5-6-9-17(15)16(11-14)12-19(27-2)20(26)18(13-25)21(22,23)24/h5-6,8-11,18-19H,3-4,7,12H2,1-2H3