2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-octanenitrile

Systemtic Name: 2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-octanenitrile Openeye Name: 2-(4-isobutoxyphenyl)-3-oxo-octanenitrile CAS Name: 2-[4-(2-methylpropoxy)phenyl]-3-oxooctanenitrile IUPAC Name: 2-[4-(2-methylpropoxy)phenyl]-3-oxooctanenitrile Traditional Name: 2-(4-isobutoxyphenyl)-3-keto-caprylonitrile Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C#N)C1=CC=C(C=C1)OCC(C)C

Isomeric SMILES

CCCCCC(=O)C(C#N)C1=CC=C(C=C1)OCC(C)C

InChI

InChI=1S/C18H25NO2/c1-4-5-6-7-18(20)17(12-19)15-8-10-16(11-9-15)21-13-14(2)3/h8-11,14,17H,4-7,13H2,1-3H3