(4-butyl-2-cyano-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (4-butyl-2-cyano-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-butyl-2-cyano-phenyl) 1-(4-ethylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-ethylphenyl)-1-cyclohexanecarboxylic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-ethylphenyl)cyclohexanecarboxylic acid (4-butyl-2-cyano-phenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C26H31NO2/c1-3-5-9-21-12-15-24(22(18-21)19-27)29-25(28)26(16-7-6-8-17-26)23-13-10-20(4-2)11-14-23/h10-15,18H,3-9,16-17H2,1-2H3