2-[4-(4-chloranyl-1-oxidanyl-butyl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[4-(4-chloranyl-1-oxidanyl-butyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[4-(4-chloro-1-hydroxy-butyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[4-(4-chloro-1-hydroxybutyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[4-(4-chloro-1-hydroxybutyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[4-(4-chloro-1-hydroxy-butyl)phenyl]-2-methyl-propionitrile Formula: C14H18ClNO MolecularWeight: 251.75182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO/c1-14(2,10-16)12-7-5-11(6-8-12)13(17)4-3-9-15/h5-8,13,17H,3-4,9H2,1-2H3