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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-6-13(19(23)24-5)20-14-10-12(15(21)7-2)8-9-16(14)25-17(11(3)4)18(20)22/h8-11,13,17H,6-7H2,1-5H3/t13-,17-/m0/s1