1-butyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(4-pentoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-amoxyphenyl)phenyl]-1-butyl-cyclohexanecarbonitrile Formula: C28H37NO MolecularWeight: 403.59948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C28H37NO/c1-3-5-7-21-30-27-14-12-25(13-15-27)23-8-10-24(11-9-23)26-16-19-28(22-29,20-17-26)18-6-4-2/h8-15,26H,3-7,16-21H2,1-2H3