(2-cyano-4-octyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-octyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylbutyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-octyl-phenyl) ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C33H45NO2/c1-4-6-7-8-9-11-14-27-17-20-31(29(24-27)25-34)36-32(35)33(21-12-10-13-22-33)30-18-15-28(16-19-30)23-26(3)5-2/h15-20,24,26H,4-14,21-23H2,1-3H3