4-[4-(4-octan-2-ylphenyl)cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-octan-2-ylphenyl)cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1-methylheptyl)phenyl]cyclohexyl]benzonitrile CAS Name: 4-[4-(4-octan-2-ylphenyl)cyclohexyl]benzonitrile IUPAC Name: 4-[4-(4-octan-2-ylphenyl)cyclohexyl]benzonitrile Traditional Name: 4-[4-[4-(1-methylheptyl)phenyl]cyclohexyl]benzonitrile Formula: C27H35N MolecularWeight: 373.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC=C(C=C1)C2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC(C)C1=CC=C(C=C1)C2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H35N/c1-3-4-5-6-7-21(2)23-12-14-25(15-13-23)27-18-16-26(17-19-27)24-10-8-22(20-28)9-11-24/h8-15,21,26-27H,3-7,16-19H2,1-2H3