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

Systemtic Name: 3-[(2R)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-9(2)15-16(21)17(7-6-14(19)20)12-8-11(10(3)18)4-5-13(12)22-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,19,20)/t15-/m1/s1