2-(4-methoxyphenyl)-2-methyl-pentanenitrile

Systemtic Name: 2-(4-methoxyphenyl)-2-methyl-pentanenitrile Openeye Name: 2-(4-methoxyphenyl)-2-methyl-pentanenitrile CAS Name: 2-(4-methoxyphenyl)-2-methylpentanenitrile IUPAC Name: 2-(4-methoxyphenyl)-2-methylpentanenitrile Traditional Name: 2-(4-methoxyphenyl)-2-methyl-valeronitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-4-9-13(2,10-14)11-5-7-12(15-3)8-6-11/h5-8H,4,9H2,1-3H3