ethyl 3-oxidanylidene-2-(phenylmethyl)hexanoate

Systemtic Name: ethyl 3-oxidanylidene-2-(phenylmethyl)hexanoate Openeye Name: ethyl 2-benzyl-3-oxo-hexanoate CAS Name: 3-oxo-2-(phenylmethyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-oxohexanoate Traditional Name: 2-benzyl-3-keto-hexanoic acid ethyl ester Formula: C15H20O3 MolecularWeight: 248.3175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C15H20O3/c1-3-8-14(16)13(15(17)18-4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3