[4-(4-cyano-4-pentyl-cyclohexyl)phenyl] 4-octoxybenzoate

Systemtic Name: [4-(4-cyano-4-pentyl-cyclohexyl)phenyl] 4-octoxybenzoate Openeye Name: [4-(4-cyano-4-pentyl-cyclohexyl)phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-(4-cyano-4-pentylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-cyano-4-pentylcyclohexyl)phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(4-amyl-4-cyano-cyclohexyl)phenyl] ester Formula: C33H45NO3 MolecularWeight: 503.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C33H45NO3/c1-3-5-7-8-9-11-25-36-30-16-14-29(15-17-30)32(35)37-31-18-12-27(13-19-31)28-20-23-33(26-34,24-21-28)22-10-6-4-2/h12-19,28H,3-11,20-25H2,1-2H3