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

Systemtic Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentadecylcyclohexane-1-carboxylate Openeye Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentadecylcyclohexanecarboxylate CAS Name: 4-pentadecyl-1-cyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester IUPAC Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentadecylcyclohexane-1-carboxylate Traditional Name: 4-pentadecylcyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester Formula: C37H53NO2 MolecularWeight: 543.82222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C37H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-31-25-28-35(29-26-31)37(39)40-36-19-16-15-18-34(36)27-24-32-20-22-33(30-38)23-21-32/h15-16,18-23,31,35H,2-14,17,24-29H2,1H3