(phenylmethyl) 3-methyl-2-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-oxidanylidene-pentanoate Openeye Name: benzyl 3-methyl-2-oxo-pentanoate CAS Name: 3-methyl-2-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-oxopentanoate Traditional Name: 2-keto-3-methyl-valeric acid benzyl ester Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3