[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C22H21NO6/c1-3-20(25)23-15-10-8-14(9-11-15)18(24)13-28-22(26)21-17(12-27-2)16-6-4-5-7-19(16)29-21/h4-11H,3,12-13H2,1-2H3,(H,23,25)