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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=C(C=C3)CCNC(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=C(C=C3)CCNC(=O)C

InChI

InChI=1S/C22H20ClNO5/c1-13-18-11-17(23)7-8-20(18)29-21(13)22(27)28-12-19(26)16-5-3-15(4-6-16)9-10-24-14(2)25/h3-8,11H,9-10,12H2,1-2H3,(H,24,25)