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

Systemtic Name: 3-[[2-(4-chlorophenyl)carbonyl-3-(3-methoxy-3-oxidanylidene-propyl)-1-benzofuran-6-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-(4-chlorobenzoyl)-3-(3-methoxy-3-oxo-propyl)benzofuran-6-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[(4-chlorophenyl)-oxomethyl]-3-(3-methoxy-3-oxopropyl)-6-benzofuranyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[2-(4-chlorobenzoyl)-3-(3-methoxy-3-oxopropyl)-1-benzofuran-6-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[2-(4-chlorobenzoyl)-3-(3-keto-3-methoxy-propyl)benzofuran-6-yl]amino]-3-keto-propionic acid Formula: C22H18ClNO7 MolecularWeight: 443.83382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(OC2=C1C=CC(=C2)NC(=O)CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC1=C(OC2=C1C=CC(=C2)NC(=O)CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClNO7/c1-30-20(28)9-8-16-15-7-6-14(24-18(25)11-19(26)27)10-17(15)31-22(16)21(29)12-2-4-13(23)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,24,25)(H,26,27)