N-(4-ethyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-(2-methyl-2-phenyl-propyl)-2-oxidanyl-oct-3-ynamide

Systemtic Name: N-(4-ethyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-(2-methyl-2-phenyl-propyl)-2-oxidanyl-oct-3-ynamide Openeye Name: N-(4-ethyl-1-oxo-2,3-benzoxazin-6-yl)-2-hydroxy-2-(2-methyl-2-phenyl-propyl)oct-3-ynamide CAS Name: N-(4-ethyl-1-oxo-2,3-benzoxazin-6-yl)-2-hydroxy-2-(2-methyl-2-phenylpropyl)-3-octynamide IUPAC Name: N-(4-ethyl-1-oxo-2,3-benzoxazin-6-yl)-2-hydroxy-2-(2-methyl-2-phenylpropyl)oct-3-ynamide Traditional Name: N-(4-ethyl-1-keto-2,3-benzoxazin-6-yl)-2-hydroxy-2-neophyl-oct-3-ynamide Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CC(C)(C)C1=CC=CC=C1)(C(=O)NC2=CC3=C(C=C2)C(=O)ON=C3CC)O

Isomeric SMILES

CCCCC#CC(CC(C)(C)C1=CC=CC=C1)(C(=O)NC2=CC3=C(C=C2)C(=O)ON=C3CC)O

InChI

InChI=1S/C28H32N2O4/c1-5-7-8-12-17-28(33,19-27(3,4)20-13-10-9-11-14-20)26(32)29-21-15-16-22-23(18-21)24(6-2)30-34-25(22)31/h9-11,13-16,18,33H,5-8,19H2,1-4H3,(H,29,32)