(2-cyano-4-hexyl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-hexyl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-hexyl-phenyl) 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid (2-cyano-4-hexyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C31H41NO2/c1-3-5-7-10-14-26-17-20-29(27(23-26)24-32)34-30(33)31(21-11-8-12-22-31)28-18-15-25(16-19-28)13-9-6-4-2/h15-20,23H,3-14,21-22H2,1-2H3