propyl (2S)-2-[(2S)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: propyl (2S)-2-[(2S)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoate Openeye Name: propyl (2S)-2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]propionic acid propyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-5-9-23-18(22)11(3)19-14-10-13(15(20)6-2)7-8-16(14)24-12(4)17(19)21/h7-8,10-12H,5-6,9H2,1-4H3/t11-,12-/m0/s1