4-(4-octan-2-ylphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-(4-octan-2-ylphenyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(1-methylheptyl)phenyl]cyclohexanecarbonitrile CAS Name: 4-(4-octan-2-ylphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(4-octan-2-ylphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(1-methylheptyl)phenyl]cyclohexanecarbonitrile Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC=C(C=C1)C2CCC(CC2)C#N

Isomeric SMILES

CCCCCCC(C)C1=CC=C(C=C1)C2CCC(CC2)C#N

InChI

InChI=1S/C21H31N/c1-3-4-5-6-7-17(2)19-12-14-21(15-13-19)20-10-8-18(16-22)9-11-20/h12-15,17-18,20H,3-11H2,1-2H3