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

Systemtic Name: (2R)-2-[(2R)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2R)-2-[(2R)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2R)-2-[(2R)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-[(2R)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2R)-2-[(2R)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]propionic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(C)C(=O)O)C(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2[C@H](C)C(=O)O)C(C)C

InChI

InChI=1S/C17H21NO5/c1-5-13(19)11-6-7-14-12(8-11)18(10(4)17(21)22)16(20)15(23-14)9(2)3/h6-10,15H,5H2,1-4H3,(H,21,22)/t10-,15-/m1/s1