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

Systemtic Name: (4-butyl-2-cyano-phenyl) 4-(4-butylcyclohexyl)benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 4-(4-butylcyclohexyl)benzoate CAS Name: 4-(4-butylcyclohexyl)benzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 4-(4-butylcyclohexyl)benzoate Traditional Name: 4-(4-butylcyclohexyl)benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

InChI

InChI=1S/C28H35NO2/c1-3-5-7-21-9-12-23(13-10-21)24-14-16-25(17-15-24)28(30)31-27-18-11-22(8-6-4-2)19-26(27)20-29/h11,14-19,21,23H,3-10,12-13H2,1-2H3