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

Systemtic Name: (2-cyano-4-propyl-phenyl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: (2-cyano-4-propyl-phenyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (2-cyano-4-propyl-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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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)CCC)C#N

Isomeric SMILES

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

InChI

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