(2-cyano-4-octan-2-yl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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