(2-cyano-4-propyl-phenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-propyl-phenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-propyl-phenyl) 1-(4-heptylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-heptylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-heptylphenyl)cyclohexanecarboxylic acid (2-cyano-4-propyl-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC)C#N

InChI

InChI=1S/C30H39NO2/c1-3-5-6-7-9-13-24-14-17-27(18-15-24)30(20-10-8-11-21-30)29(32)33-28-19-16-25(12-4-2)22-26(28)23-31/h14-19,22H,3-13,20-21H2,1-2H3