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

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

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)NCCCC(=O)O

InChI

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