3-methyl-2-[2-(4-octoxyphenyl)phenyl]butanenitrile

Systemtic Name: 3-methyl-2-[2-(4-octoxyphenyl)phenyl]butanenitrile Openeye Name: 3-methyl-2-[2-(4-octoxyphenyl)phenyl]butanenitrile CAS Name: 3-methyl-2-[2-(4-octoxyphenyl)phenyl]butanenitrile IUPAC Name: 3-methyl-2-[2-(4-octoxyphenyl)phenyl]butanenitrile Traditional Name: 3-methyl-2-[2-(4-octoxyphenyl)phenyl]butyronitrile Formula: C25H33NO MolecularWeight: 363.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(C#N)C(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(C#N)C(C)C

InChI

InChI=1S/C25H33NO/c1-4-5-6-7-8-11-18-27-22-16-14-21(15-17-22)23-12-9-10-13-24(23)25(19-26)20(2)3/h9-10,12-17,20,25H,4-8,11,18H2,1-3H3