2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)but-3-ynamide

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)but-3-ynamide Openeye Name: 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-hydroxy-N-(1-oxo-3H-isobenzofuran-5-yl)but-3-ynamide CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-hydroxy-N-(1-oxo-3H-isobenzofuran-5-yl)-3-butynamide IUPAC Name: 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-hydroxy-N-(1-oxo-3H-2-benzofuran-5-yl)but-3-ynamide Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-hydroxy-N-(1-ketophthalan-5-yl)but-3-ynamide Formula: C23H19NO6 MolecularWeight: 405.40006

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1(CC1)C2=CC3=C(C=C2)OCO3)(C(=O)NC4=CC5=C(C=C4)C(=O)OC5)O

Isomeric SMILES

C#CC(CC1(CC1)C2=CC3=C(C=C2)OCO3)(C(=O)NC4=CC5=C(C=C4)C(=O)OC5)O

InChI

InChI=1S/C23H19NO6/c1-2-23(27,21(26)24-16-4-5-17-14(9-16)11-28-20(17)25)12-22(7-8-22)15-3-6-18-19(10-15)30-13-29-18/h1,3-6,9-10,27H,7-8,11-13H2,(H,24,26)