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

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-2-oxidanyl-ethanenitrile Openeye Name: 2-hydroxy-2-(4-isobutylphenyl)acetonitrile CAS Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetonitrile IUPAC Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetonitrile Traditional Name: 2-hydroxy-2-(4-isobutylphenyl)acetonitrile Formula: C12H15NO MolecularWeight: 189.2536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO/c1-9(2)7-10-3-5-11(6-4-10)12(14)8-13/h3-6,9,12,14H,7H2,1-2H3