(2-cyano-4-octyl-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octyl-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-octyl-phenyl) 1-(4-isopentylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(3-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isoamylphenyl)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)CCC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO2/c1-4-5-6-7-8-10-13-28-18-21-31(29(24-28)25-34)36-32(35)33(22-11-9-12-23-33)30-19-16-27(17-20-30)15-14-26(2)3/h16-21,24,26H,4-15,22-23H2,1-3H3