[4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-octoxy-benzoate

Systemtic Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-octoxy-benzoate Openeye Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-octoxy-benzoate CAS Name: 3-cyano-4-octoxybenzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-octoxybenzoate Traditional Name: 3-cyano-4-octoxy-benzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester Formula: C36H57NO3 MolecularWeight: 551.84268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)C#N

InChI

InChI=1S/C36H57NO3/c1-3-5-7-9-11-13-15-29-16-18-30(19-17-29)31-20-23-34(24-21-31)40-36(38)32-22-25-35(33(27-32)28-37)39-26-14-12-10-8-6-4-2/h22,25,27,29-31,34H,3-21,23-24,26H2,1-2H3