4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptoxyphenyl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(4-heptoxyphenyl)phenyl]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)(CCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO/c1-3-5-7-8-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-9-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3