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

Systemtic Name: (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2R)-2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2R)-2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2R)-2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2R)-2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]butyric acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(CC)C(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-5-7-15(21)12-8-9-16-14(10-12)20(13(6-2)19(23)24)18(22)17(25-16)11(3)4/h8-11,13,17H,5-7H2,1-4H3,(H,23,24)/t13-,17-/m1/s1