[4-(2-cyanoethyl)phenyl] 4-hexylcyclohexane-1-carboxylate

Systemtic Name: [4-(2-cyanoethyl)phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-(2-cyanoethyl)phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-(2-cyanoethyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-(2-cyanoethyl)phenyl] ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC#N

InChI

InChI=1S/C22H31NO2/c1-2-3-4-5-7-18-9-13-20(14-10-18)22(24)25-21-15-11-19(12-16-21)8-6-17-23/h11-12,15-16,18,20H,2-10,13-14H2,1H3