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

Systemtic Name: 2-methylpropyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Openeye Name: isobutyl (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)butyric acid isobutyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(C)C)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

Isomeric SMILES

CC[C@@H](C(=O)OCC(C)C)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

InChI

InChI=1S/C19H25NO5/c1-5-14(19(23)25-10-12(3)4)20-15-9-13(16(21)6-2)7-8-17(15)24-11-18(20)22/h7-9,12,14H,5-6,10-11H2,1-4H3/t14-/m0/s1