5-[4-(5-cyano-2-methyl-pentan-2-yl)-2-methoxy-5-oxidanyl-phenyl]-5-methyl-hexanenitrile

Systemtic Name: 5-[4-(5-cyano-2-methyl-pentan-2-yl)-2-methoxy-5-oxidanyl-phenyl]-5-methyl-hexanenitrile Openeye Name: 5-[4-(4-cyano-1,1-dimethyl-butyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanenitrile CAS Name: 5-[4-(5-cyano-2-methylpentan-2-yl)-5-hydroxy-2-methoxyphenyl]-5-methylhexanenitrile IUPAC Name: 5-[4-(5-cyano-2-methylpentan-2-yl)-5-hydroxy-2-methoxyphenyl]-5-methylhexanenitrile Traditional Name: 5-[4-(4-cyano-1,1-dimethyl-butyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanenitrile Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC#N)C1=CC(=C(C=C1OC)C(C)(C)CCCC#N)O

Isomeric SMILES

CC(C)(CCCC#N)C1=CC(=C(C=C1OC)C(C)(C)CCCC#N)O

InChI

InChI=1S/C21H30N2O2/c1-20(2,10-6-8-12-22)16-15-19(25-5)17(14-18(16)24)21(3,4)11-7-9-13-23/h14-15,24H,6-11H2,1-5H3