[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H18ClNO5/c1-13(24)23-9-8-14-2-4-15(5-3-14)18(25)12-27-21(26)20-11-16-10-17(22)6-7-19(16)28-20/h2-7,10-11H,8-9,12H2,1H3,(H,23,24)