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

Systemtic Name: (4-butyl-2-cyano-phenyl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCC)C#N

InChI

InChI=1S/C29H37NO2/c1-3-5-7-9-22-10-13-24(14-11-22)25-15-17-26(18-16-25)29(31)32-28-19-12-23(8-6-4-2)20-27(28)21-30/h12,15-20,22,24H,3-11,13-14H2,1-2H3