2-[4-(2-methylpropyl)phenyl]-2-oxidanyl-propanenitrile

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-2-oxidanyl-propanenitrile Openeye Name: 2-hydroxy-2-(4-isobutylphenyl)propanenitrile CAS Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 2-hydroxy-2-(4-isobutylphenyl)propionitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)(C#N)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)(C#N)O

InChI

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