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

Systemtic Name: [4-[4-(cyanomethyl)phenyl]phenyl] heptanoate Openeye Name: [4-[4-(cyanomethyl)phenyl]phenyl] heptanoate CAS Name: heptanoic acid [4-[4-(cyanomethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(cyanomethyl)phenyl]phenyl] heptanoate Traditional Name: enanthic acid [4-[4-(cyanomethyl)phenyl]phenyl] ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-2-3-4-5-6-21(23)24-20-13-11-19(12-14-20)18-9-7-17(8-10-18)15-16-22/h7-14H,2-6,15H2,1H3