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

Systemtic Name: (2-cyano-4-hexyl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-hexyl-phenyl) 1-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-butylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-butylphenyl)cyclohexanecarboxylic acid (2-cyano-4-hexyl-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO2/c1-3-5-7-9-13-25-16-19-28(26(22-25)23-31)33-29(32)30(20-10-8-11-21-30)27-17-14-24(15-18-27)12-6-4-2/h14-19,22H,3-13,20-21H2,1-2H3