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

Systemtic Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester IUPAC Name: [2-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-[2-(4-cyanophenyl)ethyl]phenyl] ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=CC=C2CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H33NO2/c1-2-3-4-7-21-15-18-25(19-16-21)27(29)30-26-9-6-5-8-24(26)17-14-22-10-12-23(20-28)13-11-22/h5-6,8-13,21,25H,2-4,7,14-19H2,1H3