4-ethyl-2-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-octanenitrile

Systemtic Name: 4-ethyl-2-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-octanenitrile Openeye Name: 4-ethyl-2-(2-methoxy-5-methyl-phenyl)-3-oxo-octanenitrile CAS Name: 4-ethyl-2-(2-methoxy-5-methylphenyl)-3-oxooctanenitrile IUPAC Name: 4-ethyl-2-(2-methoxy-5-methylphenyl)-3-oxooctanenitrile Traditional Name: 4-ethyl-3-keto-2-(2-methoxy-5-methyl-phenyl)caprylonitrile Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2/c1-5-7-8-14(6-2)18(20)16(12-19)15-11-13(3)9-10-17(15)21-4/h9-11,14,16H,5-8H2,1-4H3