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

Systemtic Name: (2-cyano-4-nonyl-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-nonyl-phenyl) 1-(4-ethylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-ethylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-ethylphenyl)cyclohexanecarboxylic acid (2-cyano-4-nonyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C31H41NO2/c1-3-5-6-7-8-9-11-14-26-17-20-29(27(23-26)24-32)34-30(33)31(21-12-10-13-22-31)28-18-15-25(4-2)16-19-28/h15-20,23H,3-14,21-22H2,1-2H3