2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methyl-propyl]-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-oct-3-ynamide

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methyl-propyl]-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-oct-3-ynamide Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methyl-propyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-octynamide IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methyl-propyl]-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)oct-3-ynamide Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CC(C)(C)C1=C2C(=CC=C1)OCCO2)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

Isomeric SMILES

CCCCC#CC(CC(C)(C)C1=C2C(=CC=C1)OCCO2)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

InChI

InChI=1S/C29H32N2O6/c1-5-6-7-8-14-29(34,18-28(3,4)23-10-9-11-24-25(23)36-16-15-35-24)27(33)30-20-12-13-21-22(17-20)19(2)31-37-26(21)32/h9-13,17,34H,5-7,15-16,18H2,1-4H3,(H,30,33)