4-[4-(4-heptoxyphenyl)phenyl]-1-(3-methylbutyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(3-methylbutyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-isopentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(3-methylbutyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-(3-methylbutyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-isoamyl-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)(CCC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO/c1-4-5-6-7-8-23-33-30-15-13-28(14-16-30)26-9-11-27(12-10-26)29-18-21-31(24-32,22-19-29)20-17-25(2)3/h9-16,25,29H,4-8,17-23H2,1-3H3