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

Systemtic Name: ethyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: ethyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: (2R)-2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2R)-2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)butyric acid ethyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-6-9-16(22)13-10-11-17-15(12-13)21(19(24)20(4,5)26-17)14(7-2)18(23)25-8-3/h10-12,14H,6-9H2,1-5H3/t14-/m1/s1