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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5/c1-12(23-13(2)24)14-3-5-15(6-4-14)18(25)11-27-21(26)20-10-16-9-17(22)7-8-19(16)28-20/h3-10,12H,11H2,1-2H3,(H,23,24)/t12-/m1/s1