(2-cyano-4-hexyl-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-hexyl-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-hexyl-phenyl) 1-(4-ethylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-ethylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-ethylphenyl)cyclohexanecarboxylic acid (2-cyano-4-hexyl-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C28H35NO2/c1-3-5-6-8-11-23-14-17-26(24(20-23)21-29)31-27(30)28(18-9-7-10-19-28)25-15-12-22(4-2)13-16-25/h12-17,20H,3-11,18-19H2,1-2H3