4-ethyl-2-(4-methoxyphenyl)-3-oxidanylidene-octanenitrile

Systemtic Name: 4-ethyl-2-(4-methoxyphenyl)-3-oxidanylidene-octanenitrile Openeye Name: 4-ethyl-2-(4-methoxyphenyl)-3-oxo-octanenitrile CAS Name: 4-ethyl-2-(4-methoxyphenyl)-3-oxooctanenitrile IUPAC Name: 4-ethyl-2-(4-methoxyphenyl)-3-oxooctanenitrile Traditional Name: 4-ethyl-3-keto-2-(4-methoxyphenyl)caprylonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C(C#N)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC(CC)C(=O)C(C#N)C1=CC=C(C=C1)OC

InChI

InChI=1S/C17H23NO2/c1-4-6-7-13(5-2)17(19)16(12-18)14-8-10-15(20-3)11-9-14/h8-11,13,16H,4-7H2,1-3H3