2-(6-acetamido-1-benzofuran-3-yl)-3-(4-chlorophenyl)-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(6-acetamido-1-benzofuran-3-yl)-3-(4-chlorophenyl)-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 2-(6-acetamidobenzofuran-3-yl)-3-(4-chlorophenyl)-2-methyl-3-oxo-propanoic acid CAS Name: 2-(6-acetamido-3-benzofuranyl)-3-(4-chlorophenyl)-2-methyl-3-oxopropanoic acid IUPAC Name: 2-(6-acetamido-1-benzofuran-3-yl)-3-(4-chlorophenyl)-2-methyl-3-oxopropanoic acid Traditional Name: 2-(6-acetamidobenzofuran-3-yl)-3-(4-chlorophenyl)-3-keto-2-methyl-propionic acid Formula: C20H16ClNO5 MolecularWeight: 385.79774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CO2)C(C)(C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CO2)C(C)(C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H16ClNO5/c1-11(23)22-14-7-8-15-16(10-27-17(15)9-14)20(2,19(25)26)18(24)12-3-5-13(21)6-4-12/h3-10H,1-2H3,(H,22,23)(H,25,26)