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

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C21H18ClNO5/c1-3-19(25)23-15-7-4-13(5-8-15)17(24)11-27-21(26)20-12(2)16-10-14(22)6-9-18(16)28-20/h4-10H,3,11H2,1-2H3,(H,23,25)