propan-2-yl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: propan-2-yl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: isopropyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-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)CCC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-10(2)16-13(15)9-8-12(14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3