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

Systemtic Name: butyl (2S)-2-[(2S)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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