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

Systemtic Name: 4-ethyl-2-(2-methoxyphenyl)-3-oxidanylidene-octanenitrile Openeye Name: 4-ethyl-2-(2-methoxyphenyl)-3-oxo-octanenitrile CAS Name: 4-ethyl-2-(2-methoxyphenyl)-3-oxooctanenitrile IUPAC Name: 4-ethyl-2-(2-methoxyphenyl)-3-oxooctanenitrile Traditional Name: 4-ethyl-3-keto-2-(2-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=CC=C1OC

Isomeric SMILES

CCCCC(CC)C(=O)C(C#N)C1=CC=CC=C1OC

InChI

InChI=1S/C17H23NO2/c1-4-6-9-13(5-2)17(19)15(12-18)14-10-7-8-11-16(14)20-3/h7-8,10-11,13,15H,4-6,9H2,1-3H3