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

Systemtic Name: ethyl 2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: ethyl 2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid ethyl ester 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)N2CC(=O)OCC)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)OCC)C(C)C

InChI

InChI=1S/C19H25NO5/c1-5-7-15(21)13-8-9-16-14(10-13)20(11-17(22)24-6-2)19(23)18(25-16)12(3)4/h8-10,12,18H,5-7,11H2,1-4H3/t18-/m1/s1