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

Systemtic Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester IUPAC Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H31NO2/c1-2-3-6-20-14-17-24(18-15-20)26(28)29-25-8-5-4-7-23(25)16-13-21-9-11-22(19-27)12-10-21/h4-5,7-12,20,24H,2-3,6,13-18H2,1H3