2-butyl-2-(4-methoxyphenyl)hexanenitrile

Systemtic Name: 2-butyl-2-(4-methoxyphenyl)hexanenitrile Openeye Name: 2-butyl-2-(4-methoxyphenyl)hexanenitrile CAS Name: 2-butyl-2-(4-methoxyphenyl)hexanenitrile IUPAC Name: 2-butyl-2-(4-methoxyphenyl)hexanenitrile Traditional Name: 2-butyl-2-(4-methoxyphenyl)hexanenitrile Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO/c1-4-6-12-17(14-18,13-7-5-2)15-8-10-16(19-3)11-9-15/h8-11H,4-7,12-13H2,1-3H3