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

Systemtic Name: (2S)-2-[(2S)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2S)-2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2S)-2-[(2S)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2S)-2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2S)-2-[(2S)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]butyric acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-4-11(16(20)21)17-12-8-10(13(18)5-2)6-7-14(12)22-9(3)15(17)19/h6-9,11H,4-5H2,1-3H3,(H,20,21)/t9-,11-/m0/s1