(4-butoxy-2,3-dicyano-phenyl) 4-(4-butylcyclohexyl)benzoate

Systemtic Name: (4-butoxy-2,3-dicyano-phenyl) 4-(4-butylcyclohexyl)benzoate Openeye Name: (4-butoxy-2,3-dicyano-phenyl) 4-(4-butylcyclohexyl)benzoate CAS Name: 4-(4-butylcyclohexyl)benzoic acid (4-butoxy-2,3-dicyanophenyl) ester IUPAC Name: (4-butoxy-2,3-dicyanophenyl) 4-(4-butylcyclohexyl)benzoate Traditional Name: 4-(4-butylcyclohexyl)benzoic acid (4-butoxy-2,3-dicyano-phenyl) ester Formula: C29H34N2O3 MolecularWeight: 458.59186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3/c1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)29(32)34-28-17-16-27(33-18-6-4-2)25(19-30)26(28)20-31/h12-17,21-22H,3-11,18H2,1-2H3