(4-butyl-2-cyano-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

InChI

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