[4-(4-heptylphenyl)phenyl] 1-cyano-3-ethyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 1-cyano-3-ethyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptylphenyl)phenyl] 1-cyano-3-ethyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-ethyl-1-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 1-cyano-3-ethylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-ethyl-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)CC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)CC)C#N

InChI

InChI=1S/C29H37NO2/c1-3-5-6-7-8-10-24-12-14-25(15-13-24)26-16-18-27(19-17-26)32-28(31)29(22-30)20-9-11-23(4-2)21-29/h12-19,23H,3-11,20-21H2,1-2H3