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

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-octylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-octylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C36H51NO2 MolecularWeight: 529.79564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

InChI

InChI=1S/C36H51NO2/c1-4-6-8-10-11-14-18-30-19-22-33(23-20-30)36(25-15-12-16-26-36)35(38)39-34-24-21-31(27-32(34)28-37)29(3)17-13-9-7-5-2/h19-24,27,29H,4-18,25-26H2,1-3H3