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

Systemtic Name: propyl (2S)-2-[(2S)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: propyl (2S)-2-[(2S)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-[(2S)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid propyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(C)C(=O)OCCC)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2[C@@H](C)C(=O)OCCC)C

InChI

InChI=1S/C19H25NO5/c1-5-7-16(21)14-8-9-17-15(11-14)20(18(22)13(4)25-17)12(3)19(23)24-10-6-2/h8-9,11-13H,5-7,10H2,1-4H3/t12-,13-/m0/s1