2-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(5-chloro-2-oxo-3-phenyl-benzofuran-3-yl)acetyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(5-chloro-2-oxo-3-phenyl-3-benzofuranyl)-1-oxoethyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(5-chloro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(5-chloro-2-keto-3-phenyl-coumaran-3-yl)acetyl]-methyl-amino]-3-phenyl-propionic acid Formula: C26H22ClNO5 MolecularWeight: 463.90958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO5/c1-28(21(24(30)31)14-17-8-4-2-5-9-17)23(29)16-26(18-10-6-3-7-11-18)20-15-19(27)12-13-22(20)33-25(26)32/h2-13,15,21H,14,16H2,1H3,(H,30,31)