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

Systemtic Name: propyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-4-9-23-18(22)13(5-2)19-14-10-12(15(20)6-3)7-8-16(14)24-11-17(19)21/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m0/s1