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

Systemtic Name: 4-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: 4-[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C16H17NO7 MolecularWeight: 335.30868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-8-10(7-13(20)17-4-2-3-14(21)22)16(23)24-12-6-9(18)5-11(19)15(8)12/h5-6,18-19H,2-4,7H2,1H3,(H,17,20)(H,21,22)