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

Systemtic Name: (2-cyano-4-octyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-octyl-phenyl) 1-(4-isobutylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(2-methylpropyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isobutylphenyl)cyclohexanecarboxylic acid (2-cyano-4-octyl-phenyl) ester Formula: C32H43NO2 MolecularWeight: 473.68932

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO2/c1-4-5-6-7-8-10-13-26-16-19-30(28(23-26)24-33)35-31(34)32(20-11-9-12-21-32)29-17-14-27(15-18-29)22-25(2)3/h14-19,23,25H,4-13,20-22H2,1-3H3