propyl (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: propyl (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Openeye Name: propyl (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid propyl ester IUPAC Name: propyl (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)butyric acid propyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC)N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)(C)C

Isomeric SMILES

CCCOC(=O)[C@H](CC)N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)(C)C

InChI

InChI=1S/C20H27NO5/c1-6-11-25-18(23)14(7-2)21-15-12-13(16(22)8-3)9-10-17(15)26-20(4,5)19(21)24/h9-10,12,14H,6-8,11H2,1-5H3/t14-/m0/s1