(2-cyano-4-hexyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-hexyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-hexyl-phenyl) 1-(4-isobutylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(2-methylpropyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isobutylphenyl)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)CC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO2/c1-4-5-6-8-11-24-14-17-28(26(21-24)22-31)33-29(32)30(18-9-7-10-19-30)27-15-12-25(13-16-27)20-23(2)3/h12-17,21,23H,4-11,18-20H2,1-3H3