4-[4-(4-octan-2-yloxycyclohexyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-octan-2-yloxycyclohexyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1-methylheptoxy)cyclohexyl]phenyl]benzonitrile CAS Name: 4-[4-(4-octan-2-yloxycyclohexyl)phenyl]benzonitrile IUPAC Name: 4-[4-(4-octan-2-yloxycyclohexyl)phenyl]benzonitrile Traditional Name: 4-[4-[4-(1-methylheptoxy)cyclohexyl]phenyl]benzonitrile Formula: C27H35NO MolecularWeight: 389.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC(C)OC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H35NO/c1-3-4-5-6-7-21(2)29-27-18-16-26(17-19-27)25-14-12-24(13-15-25)23-10-8-22(20-28)9-11-23/h8-15,21,26-27H,3-7,16-19H2,1-2H3