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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-7-15(21(25)26-13(5)6)22-16-11-14(17(23)8-2)9-10-18(16)27-19(12(3)4)20(22)24/h9-13,15,19H,7-8H2,1-6H3/t15-,19-/m0/s1