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

Systemtic Name: 4-(4-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(2-phenylethynyl)pentanamide Openeye Name: 4-(4-bromo-2-methoxy-phenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)-2-(2-phenylethynyl)pentanamide CAS Name: 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)-2-(2-phenylethynyl)pentanamide IUPAC Name: 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(2-phenylethynyl)pentanamide Traditional Name: 2-[2-(4-bromo-2-methoxy-phenyl)-2-methyl-propyl]-2-hydroxy-N-(1-ketophthalan-5-yl)-4-phenyl-but-3-ynamide Formula: C29H26BrNO5 MolecularWeight: 548.42444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#CC1=CC=CC=C1)(C(=O)NC2=CC3=C(C=C2)C(=O)OC3)O)C4=C(C=C(C=C4)Br)OC

Isomeric SMILES

CC(C)(CC(C#CC1=CC=CC=C1)(C(=O)NC2=CC3=C(C=C2)C(=O)OC3)O)C4=C(C=C(C=C4)Br)OC

InChI

InChI=1S/C29H26BrNO5/c1-28(2,24-12-9-21(30)16-25(24)35-3)18-29(34,14-13-19-7-5-4-6-8-19)27(33)31-22-10-11-23-20(15-22)17-36-26(23)32/h4-12,15-16,34H,17-18H2,1-3H3,(H,31,33)