[2-[2-(4-cyanophenyl)ethyl]phenyl] 4-tridecylcyclohexane-1-carboxylate

Systemtic Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-tridecylcyclohexane-1-carboxylate Openeye Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-tridecylcyclohexanecarboxylate CAS Name: 4-tridecyl-1-cyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester IUPAC Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-tridecylcyclohexane-1-carboxylate Traditional Name: 4-tridecylcyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C35H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-29-23-26-33(27-24-29)35(37)38-34-17-14-13-16-32(34)25-22-30-18-20-31(28-36)21-19-30/h13-14,16-21,29,33H,2-12,15,22-27H2,1H3