3-oxidanylidenebutan-2-yl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (2-keto-1-methyl-propyl) ester Formula: C20H18O5 MolecularWeight: 338.35392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

InChI

InChI=1S/C20H18O5/c1-13(21)14(2)24-20(22)19-17(12-23-15-8-4-3-5-9-15)16-10-6-7-11-18(16)25-19/h3-11,14H,12H2,1-2H3