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

Systemtic Name: (2-cyano-4-propyl-phenyl) 4-(4-butylcyclohexyl)benzoate Openeye Name: (2-cyano-4-propyl-phenyl) 4-(4-butylcyclohexyl)benzoate CAS Name: 4-(4-butylcyclohexyl)benzoic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 4-(4-butylcyclohexyl)benzoate Traditional Name: 4-(4-butylcyclohexyl)benzoic acid (2-cyano-4-propyl-phenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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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)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2/c1-3-5-7-20-8-11-22(12-9-20)23-13-15-24(16-14-23)27(29)30-26-17-10-21(6-4-2)18-25(26)19-28/h10,13-18,20,22H,3-9,11-12H2,1-2H3