[4-(4-octylcyclohexyl)phenyl] 4-cyanobenzoate

Systemtic Name: [4-(4-octylcyclohexyl)phenyl] 4-cyanobenzoate Openeye Name: [4-(4-octylcyclohexyl)phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-octylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-octylcyclohexyl)phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-octylcyclohexyl)phenyl] ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H35NO2/c1-2-3-4-5-6-7-8-22-9-13-24(14-10-22)25-17-19-27(20-18-25)31-28(30)26-15-11-23(21-29)12-16-26/h11-12,15-20,22,24H,2-10,13-14H2,1H3