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

Systemtic Name: 4-[(2R)-4-(carboxymethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-4-(carboxymethyl)-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-4-(carboxymethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-4-(carboxymethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-4-(carboxymethyl)-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7/c1-9(2)16-17(24)18(8-15(22)23)11-7-10(3-5-13(11)25-16)12(19)4-6-14(20)21/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,20,21)(H,22,23)/t16-/m1/s1