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

Systemtic Name: 4-(4-bromanyl-2-methoxy-phenyl)-2-ethynyl-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)pentanamide Openeye Name: 4-(4-bromo-2-methoxy-phenyl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)pentanamide CAS Name: 4-(4-bromo-2-methoxyphenyl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)pentanamide IUPAC Name: 4-(4-bromo-2-methoxyphenyl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide Traditional Name: 2-[2-(4-bromo-2-methoxy-phenyl)-2-methyl-propyl]-2-hydroxy-N-(1-ketophthalan-5-yl)but-3-ynamide Formula: C23H22BrNO5 MolecularWeight: 472.32848

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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=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(CC(C#C)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)O)C3=C(C=C(C=C3)Br)OC

InChI

InChI=1S/C23H22BrNO5/c1-5-23(28,13-22(2,3)18-9-6-15(24)11-19(18)29-4)21(27)25-16-7-8-17-14(10-16)12-30-20(17)26/h1,6-11,28H,12-13H2,2-4H3,(H,25,27)