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

Systemtic Name: (4-butyl-2-cyano-phenyl) 4-(4-hexylcyclohexyl)benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 4-(4-hexylcyclohexyl)benzoate CAS Name: 4-(4-hexylcyclohexyl)benzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 4-(4-hexylcyclohexyl)benzoate Traditional Name: 4-(4-hexylcyclohexyl)benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

InChI

InChI=1S/C30H39NO2/c1-3-5-7-8-10-23-11-14-25(15-12-23)26-16-18-27(19-17-26)30(32)33-29-20-13-24(9-6-4-2)21-28(29)22-31/h13,16-21,23,25H,3-12,14-15H2,1-2H3