[4-[4-(cyanomethyl)phenyl]phenyl] octanoate

Systemtic Name: [4-[4-(cyanomethyl)phenyl]phenyl] octanoate Openeye Name: [4-[4-(cyanomethyl)phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-(cyanomethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(cyanomethyl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(cyanomethyl)phenyl]phenyl] ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2/c1-2-3-4-5-6-7-22(24)25-21-14-12-20(13-15-21)19-10-8-18(9-11-19)16-17-23/h8-15H,2-7,16H2,1H3