4-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-2-ethyl-3-keto-4-(methoxymethyl)-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)COC

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)COC

InChI

InChI=1S/C16H19NO6/c1-3-13-16(21)17(9-22-2)11-8-10(4-6-14(11)23-13)12(18)5-7-15(19)20/h4,6,8,13H,3,5,7,9H2,1-2H3,(H,19,20)/t13-/m1/s1