(4-butyl-2-cyano-phenyl) 4-(4-heptylcyclohexyl)benzoate

Systemtic Name: (4-butyl-2-cyano-phenyl) 4-(4-heptylcyclohexyl)benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 4-(4-heptylcyclohexyl)benzoate CAS Name: 4-(4-heptylcyclohexyl)benzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 4-(4-heptylcyclohexyl)benzoate Traditional Name: 4-(4-heptylcyclohexyl)benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

InChI

InChI=1S/C31H41NO2/c1-3-5-7-8-9-11-24-12-15-26(16-13-24)27-17-19-28(20-18-27)31(33)34-30-21-14-25(10-6-4-2)22-29(30)23-32/h14,17-22,24,26H,3-13,15-16H2,1-2H3