4-(4-octan-2-ylcyclohexyl)benzenecarbonitrile

Systemtic Name: 4-(4-octan-2-ylcyclohexyl)benzenecarbonitrile Openeye Name: 4-[4-(1-methylheptyl)cyclohexyl]benzonitrile CAS Name: 4-(4-octan-2-ylcyclohexyl)benzonitrile IUPAC Name: 4-(4-octan-2-ylcyclohexyl)benzonitrile Traditional Name: 4-[4-(1-methylheptyl)cyclohexyl]benzonitrile Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1CCC(CC1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC(C)C1CCC(CC1)C2=CC=C(C=C2)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/h8-11,17,19,21H,3-7,12-15H2,1-2H3