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

Systemtic Name: (2S)-2-[(2S)-2-(carboxymethyl)-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2S)-2-[(2S)-2-(carboxymethyl)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2S)-2-[(2S)-2-(carboxymethyl)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2S)-2-[(2S)-2-(carboxymethyl)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2S)-2-[(2S)-2-(carboxymethyl)-3-keto-6-methyl-1,4-benzoxazin-4-yl]butyric acid Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO6/c1-3-9(15(20)21)16-10-6-8(2)4-5-11(10)22-12(14(16)19)7-13(17)18/h4-6,9,12H,3,7H2,1-2H3,(H,17,18)(H,20,21)/t9-,12-/m0/s1