4-[4-[4-(2-ethylhexoxy)cyclohexyl]phenyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC(CC)COC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H35NO/c1-3-5-6-21(4-2)20-29-27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-9-7-22(19-28)8-10-23/h7-14,21,26-27H,3-6,15-18,20H2,1-2H3