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

Systemtic Name: 5,5-dimethyl-2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-hexanenitrile Openeye Name: 2-(4-isobutoxyphenyl)-5,5-dimethyl-3-oxo-hexanenitrile CAS Name: 5,5-dimethyl-2-[4-(2-methylpropoxy)phenyl]-3-oxohexanenitrile IUPAC Name: 5,5-dimethyl-2-[4-(2-methylpropoxy)phenyl]-3-oxohexanenitrile Traditional Name: 2-(4-isobutoxyphenyl)-3-keto-5,5-dimethyl-hexanenitrile Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(C#N)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(C#N)C(=O)CC(C)(C)C

InChI

InChI=1S/C18H25NO2/c1-13(2)12-21-15-8-6-14(7-9-15)16(11-19)17(20)10-18(3,4)5/h6-9,13,16H,10,12H2,1-5H3