(2-cyano-4-heptyl-phenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-heptyl-phenyl) 1-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-octylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-octylphenyl)cyclohexanecarboxylic acid (2-cyano-4-heptyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C35H49NO2/c1-3-5-7-9-11-13-17-29-19-22-32(23-20-29)35(25-15-12-16-26-35)34(37)38-33-24-21-30(27-31(33)28-36)18-14-10-8-6-4-2/h19-24,27H,3-18,25-26H2,1-2H3