[4-(4-hexoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 1-cyano-3-methylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C27H33NO3 MolecularWeight: 419.55582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

InChI

InChI=1S/C27H33NO3/c1-3-4-5-6-18-30-24-13-9-22(10-14-24)23-11-15-25(16-12-23)31-26(29)27(20-28)17-7-8-21(2)19-27/h9-16,21H,3-8,17-19H2,1-2H3