[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H20O5 MolecularWeight: 352.3805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

InChI

InChI=1S/C21H20O5/c1-4-14-5-7-15(8-6-14)18(22)12-25-21(23)20-13(2)17-11-16(24-3)9-10-19(17)26-20/h5-11H,4,12H2,1-3H3