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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC=C1)CC(C(=O)O)NC)C2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C(=CC=C1)CC(C(=O)O)NC)C2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO5/c1-15(29)19-10-6-7-16(13-21(28-2)24(30)31)23(19)26(17-8-4-3-5-9-17)20-14-18(27)11-12-22(20)33-25(26)32/h3-12,14,21,28H,13H2,1-2H3,(H,30,31)