3-chloranyl-3-[4-(2-methylpropyl)phenyl]-2-oxidanyl-butanenitrile

Systemtic Name: 3-chloranyl-3-[4-(2-methylpropyl)phenyl]-2-oxidanyl-butanenitrile Openeye Name: 3-chloro-2-hydroxy-3-(4-isobutylphenyl)butanenitrile CAS Name: 3-chloro-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanenitrile IUPAC Name: 3-chloro-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanenitrile Traditional Name: 3-chloro-2-hydroxy-3-(4-isobutylphenyl)butyronitrile Formula: C14H18ClNO MolecularWeight: 251.75182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO/c1-10(2)8-11-4-6-12(7-5-11)14(3,15)13(17)9-16/h4-7,10,13,17H,8H2,1-3H3