(2-cyanophenyl)methyl octanoate

Systemtic Name: (2-cyanophenyl)methyl octanoate Openeye Name: (2-cyanophenyl)methyl octanoate CAS Name: octanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl octanoate Traditional Name: caprylic acid (2-cyanobenzyl) ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1=CC=CC=C1C#N

Isomeric SMILES

CCCCCCCC(=O)OCC1=CC=CC=C1C#N

InChI

InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-16(18)19-13-15-10-8-7-9-14(15)12-17/h7-10H,2-6,11,13H2,1H3