(2-cyano-4-pentyl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 1-(4-nonylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-nonylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-nonylphenyl)cyclohexanecarboxylic acid (4-amyl-2-cyano-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-3-5-7-8-9-10-13-16-28-18-21-31(22-19-28)34(24-14-11-15-25-34)33(36)37-32-23-20-29(17-12-6-4-2)26-30(32)27-35/h18-23,26H,3-17,24-25H2,1-2H3