4-[4-(4-heptoxyphenyl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(2-methylbutyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(2-methylbutyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(2-methylbutyl)cyclohexanecarbonitrile Formula: C31H43NO MolecularWeight: 445.67922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C31H43NO/c1-4-6-7-8-9-22-33-30-16-14-28(15-17-30)26-10-12-27(13-11-26)29-18-20-31(24-32,21-19-29)23-25(3)5-2/h10-17,25,29H,4-9,18-23H2,1-3H3