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

Systemtic Name: ethyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyric 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)N2C(CC)C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-5-8-16(21)13-9-10-17-15(11-13)20(18(22)12(4)25-17)14(6-2)19(23)24-7-3/h9-12,14H,5-8H2,1-4H3/t12-,14-/m1/s1