4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(2-phenylethynyl)pentanamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(2-phenylethynyl)pentanamide Openeye Name: 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide CAS Name: 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide Traditional Name: 2-(2-coumaran-7-yl-2-methyl-propyl)-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-4-phenyl-but-3-ynamide Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OCC4)(C#CC5=CC=CC=C5)O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OCC4)(C#CC5=CC=CC=C5)O

InChI

InChI=1S/C31H28N2O5/c1-20-25-18-23(12-13-24(25)28(34)38-33-20)32-29(35)31(36,16-14-21-8-5-4-6-9-21)19-30(2,3)26-11-7-10-22-15-17-37-27(22)26/h4-13,18,36H,15,17,19H2,1-3H3,(H,32,35)