2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]butanoic acid

Systemtic Name: 2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]butanoic acid Openeye Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(7,8-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C(=C(C=C2)O)O)OC1=O)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C(=C(C=C2)O)O)OC1=O)C

InChI

InChI=1S/C16H17NO7/c1-3-10(15(21)22)17-12(19)6-9-7(2)8-4-5-11(18)13(20)14(8)24-16(9)23/h4-5,10,18,20H,3,6H2,1-2H3,(H,17,19)(H,21,22)