[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C24H25NO6 MolecularWeight: 423.4584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C

InChI

InChI=1S/C24H25NO6/c1-4-6-22(27)25-17-9-7-16(8-10-17)20(26)14-30-24(28)23-15(3)19-13-18(29-5-2)11-12-21(19)31-23/h7-13H,4-6,14H2,1-3H3,(H,25,27)