5-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-hexanenitrile

Systemtic Name: 5-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-hexanenitrile Openeye Name: 2-(4-isobutoxyphenyl)-5-methyl-3-oxo-hexanenitrile CAS Name: 5-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxohexanenitrile IUPAC Name: 5-methyl-2-[4-(2-methylpropoxy)phenyl]-3-oxohexanenitrile Traditional Name: 2-(4-isobutoxyphenyl)-3-keto-5-methyl-hexanenitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2/c1-12(2)9-17(19)16(10-18)14-5-7-15(8-6-14)20-11-13(3)4/h5-8,12-13,16H,9,11H2,1-4H3