propan-2-yl 2-oxidanylidene-3-phenyl-butanoate

Systemtic Name: propan-2-yl 2-oxidanylidene-3-phenyl-butanoate Openeye Name: isopropyl 2-oxo-3-phenyl-butanoate CAS Name: 2-oxo-3-phenylbutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-oxo-3-phenylbutanoate Traditional Name: 2-keto-3-phenyl-butyric acid isopropyl ester Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=O)C(C)C1=CC=CC=C1

Isomeric SMILES

CC(C)OC(=O)C(=O)C(C)C1=CC=CC=C1

InChI

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