3-methyl-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]-3-methyl-butyric acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C=CC(=O)O2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C16H17NO6/c1-9(2)15(16(20)21)17-13(18)8-22-11-5-3-10-4-6-14(19)23-12(10)7-11/h3-7,9,15H,8H2,1-2H3,(H,17,18)(H,20,21)