[4-(4-cyanophenyl)phenyl] octanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] octanoate Openeye Name: [4-(4-cyanophenyl)phenyl] octanoate CAS Name: octanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] octanoate Traditional Name: caprylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-21(23)24-20-14-12-19(13-15-20)18-10-8-17(16-22)9-11-18/h8-15H,2-7H2,1H3