[(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[4-(2-acetamidoethyl)phenyl]-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1R)-2-[4-(2-acetamidoethyl)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)CCNC(=O)C)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)CCNC(=O)C)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C22H20ClNO5/c1-13(21(26)16-5-3-15(4-6-16)9-10-24-14(2)25)28-22(27)20-12-17-11-18(23)7-8-19(17)29-20/h3-8,11-13H,9-10H2,1-2H3,(H,24,25)/t13-/m1/s1