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

Systemtic Name: butyl (2S)-2-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: butyl (2S)-2-[(2S)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[(2S)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]propionic acid butyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-6-8-11-26-21(25)14(5)22-16-12-15(17(23)7-2)9-10-18(16)27-19(13(3)4)20(22)24/h9-10,12-14,19H,6-8,11H2,1-5H3/t14-,19-/m0/s1