3-methyl-2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]butanoic acid Openeye Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-methyl-butyric acid Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C17H19NO7/c1-7(2)15(16(22)23)18-13(21)6-10-8(3)14-11(20)4-9(19)5-12(14)25-17(10)24/h4-5,7,15,19-20H,6H2,1-3H3,(H,18,21)(H,22,23)