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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2/c1-5-14(6-2)18(20)17(11-19)15-7-9-16(10-8-15)21-12-13(3)4/h7-10,13-14,17H,5-6,12H2,1-4H3