(4-butoxy-2,3-dicyano-phenyl) 4-propylcyclohexane-1-carboxylate

Systemtic Name: (4-butoxy-2,3-dicyano-phenyl) 4-propylcyclohexane-1-carboxylate Openeye Name: (4-butoxy-2,3-dicyano-phenyl) 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid (4-butoxy-2,3-dicyanophenyl) ester IUPAC Name: (4-butoxy-2,3-dicyanophenyl) 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid (4-butoxy-2,3-dicyano-phenyl) ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCC)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCC)C#N)C#N

InChI

InChI=1S/C22H28N2O3/c1-3-5-13-26-20-11-12-21(19(15-24)18(20)14-23)27-22(25)17-9-7-16(6-4-2)8-10-17/h11-12,16-17H,3-10,13H2,1-2H3