4-(2-chloranyl-5-fluoranyl-phenyl)-2-ethynyl-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)pentanamide

Systemtic Name: 4-(2-chloranyl-5-fluoranyl-phenyl)-2-ethynyl-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)pentanamide Openeye Name: 4-(2-chloro-5-fluoro-phenyl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)pentanamide CAS Name: 4-(2-chloro-5-fluorophenyl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)pentanamide IUPAC Name: 4-(2-chloro-5-fluorophenyl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide Traditional Name: 2-[2-(2-chloro-5-fluoro-phenyl)-2-methyl-propyl]-2-hydroxy-N-(1-ketophthalan-5-yl)but-3-ynamide Formula: C22H19ClFNO4 MolecularWeight: 415.841963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#C)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)O)C3=C(C=CC(=C3)F)Cl

Isomeric SMILES

CC(C)(CC(C#C)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)O)C3=C(C=CC(=C3)F)Cl

InChI

InChI=1S/C22H19ClFNO4/c1-4-22(28,12-21(2,3)17-10-14(24)5-8-18(17)23)20(27)25-15-6-7-16-13(9-15)11-29-19(16)26/h1,5-10,28H,11-12H2,2-3H3,(H,25,27)