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

Systemtic Name: [4-[4-(cyanomethyl)phenyl]phenyl] hexanoate Openeye Name: [4-[4-(cyanomethyl)phenyl]phenyl] hexanoate CAS Name: hexanoic acid [4-[4-(cyanomethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(cyanomethyl)phenyl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[4-(cyanomethyl)phenyl]phenyl] ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2/c1-2-3-4-5-20(22)23-19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-21/h6-13H,2-5,14H2,1H3