3-[2-(4-chlorophenyl)carbonyl-6-[(2-methoxy-2-oxidanylidene-ethanoyl)amino]-1-benzofuran-3-yl]propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)carbonyl-6-[(2-methoxy-2-oxidanylidene-ethanoyl)amino]-1-benzofuran-3-yl]propanoic acid Openeye Name: 3-[2-(4-chlorobenzoyl)-6-[(2-methoxy-2-oxo-acetyl)amino]benzofuran-3-yl]propanoic acid CAS Name: 3-[2-[(4-chlorophenyl)-oxomethyl]-6-[(2-methoxy-1,2-dioxoethyl)amino]-3-benzofuranyl]propanoic acid IUPAC Name: 3-[2-(4-chlorobenzoyl)-6-[(2-methoxy-2-oxoacetyl)amino]-1-benzofuran-3-yl]propanoic acid Traditional Name: 3-[2-(4-chlorobenzoyl)-6-(methoxalylamino)benzofuran-3-yl]propionic acid Formula: C21H16ClNO7 MolecularWeight: 429.80724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)NC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

COC(=O)C(=O)NC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C21H16ClNO7/c1-29-21(28)20(27)23-13-6-7-14-15(8-9-17(24)25)19(30-16(14)10-13)18(26)11-2-4-12(22)5-3-11/h2-7,10H,8-9H2,1H3,(H,23,27)(H,24,25)