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

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-hexylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-hexylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-6-8-11-15-27(3)29-19-22-32(30(25-29)26-35)37-33(36)34(23-13-10-14-24-34)31-20-17-28(18-21-31)16-12-9-7-5-2/h17-22,25,27H,4-16,23-24H2,1-3H3