4,4,5-trimethyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2,5-bis(oxidanyl)-2-prop-1-ynyl-hexanamide

Systemtic Name: 4,4,5-trimethyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2,5-bis(oxidanyl)-2-prop-1-ynyl-hexanamide Openeye Name: 2,5-dihydroxy-4,4,5-trimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-prop-1-ynyl-hexanamide CAS Name: 2,5-dihydroxy-4,4,5-trimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-prop-1-ynylhexanamide IUPAC Name: 2,5-dihydroxy-4,4,5-trimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-prop-1-ynylhexanamide Traditional Name: 2-hydroxy-2-(3-hydroxy-2,2,3-trimethyl-butyl)-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)pent-3-ynamide Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC(C)(C)C(C)(C)O)(C(=O)NC1=CC2=C(C=C1)C(=O)ON=C2C)O

Isomeric SMILES

CC#CC(CC(C)(C)C(C)(C)O)(C(=O)NC1=CC2=C(C=C1)C(=O)ON=C2C)O

InChI

InChI=1S/C21H26N2O5/c1-7-10-21(27,12-19(3,4)20(5,6)26)18(25)22-14-8-9-15-16(11-14)13(2)23-28-17(15)24/h8-9,11,26-27H,12H2,1-6H3,(H,22,25)