(2-cyano-4-propyl-phenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate

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

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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)CCC)C#N

Isomeric SMILES

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

InChI

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