(phenylmethyl) 2-ethanoylheptanoate

Systemtic Name: (phenylmethyl) 2-ethanoylheptanoate Openeye Name: benzyl 2-acetylheptanoate CAS Name: 2-acetylheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetylheptanoate Traditional Name: 2-acetylenanthic acid benzyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C(=O)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3/c1-3-4-6-11-15(13(2)17)16(18)19-12-14-9-7-5-8-10-14/h5,7-10,15H,3-4,6,11-12H2,1-2H3