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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 1-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-octoxyphenyl)phenyl] 1-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-pentyl-1-cyclohexanecarboxylic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 1-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-1-cyano-cyclohexanecarboxylic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C33H45NO3 MolecularWeight: 503.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C33H45NO3/c1-3-5-7-8-9-11-25-36-30-17-13-28(14-18-30)29-15-19-31(20-16-29)37-32(35)33(26-34)23-21-27(22-24-33)12-10-6-4-2/h13-20,27H,3-12,21-25H2,1-2H3