(2-cyano-4-octyl-phenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octyl-phenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-octyl-phenyl) 1-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-propylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-propylphenyl)cyclohexanecarboxylic acid (2-cyano-4-octyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC)C#N

InChI

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