[4-(4-octoxyphenyl)phenyl] 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-octoxyphenyl)phenyl] 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C35H49NO3 MolecularWeight: 531.76846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C35H49NO3/c1-3-5-7-9-11-13-27-38-32-18-14-29(15-19-32)30-16-20-33(21-17-30)39-34(37)31-22-25-35(28-36,26-23-31)24-12-10-8-6-4-2/h14-21,31H,3-13,22-27H2,1-2H3