2-[2-(1,3-benzodioxol-4-yl)-2-methyl-propyl]-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-oct-3-ynamide

Systemtic Name: 2-[2-(1,3-benzodioxol-4-yl)-2-methyl-propyl]-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-oct-3-ynamide Openeye Name: 2-[2-(1,3-benzodioxol-4-yl)-2-methyl-propyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide CAS Name: 2-[2-(1,3-benzodioxol-4-yl)-2-methylpropyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-octynamide IUPAC Name: 2-[2-(1,3-benzodioxol-4-yl)-2-methylpropyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide Traditional Name: 2-[2-(1,3-benzodioxol-4-yl)-2-methyl-propyl]-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)oct-3-ynamide Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CC(C)(C)C1=C2C(=CC=C1)OCO2)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

Isomeric SMILES

CCCCC#CC(CC(C)(C)C1=C2C(=CC=C1)OCO2)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

InChI

InChI=1S/C28H30N2O6/c1-5-6-7-8-14-28(33,16-27(3,4)22-10-9-11-23-24(22)35-17-34-23)26(32)29-19-12-13-20-21(15-19)18(2)30-36-25(20)31/h9-13,15,33H,5-7,16-17H2,1-4H3,(H,29,32)