3-(4-methoxyphenyl)-4-methyl-pentanenitrile

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-pentanenitrile Openeye Name: 3-(4-methoxyphenyl)-4-methyl-pentanenitrile CAS Name: 3-(4-methoxyphenyl)-4-methylpentanenitrile IUPAC Name: 3-(4-methoxyphenyl)-4-methylpentanenitrile Traditional Name: 3-(4-methoxyphenyl)-4-methyl-valeronitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-10(2)13(8-9-14)11-4-6-12(15-3)7-5-11/h4-7,10,13H,8H2,1-3H3