4-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: 4-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C16H16ClNO6 MolecularWeight: 353.75434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO6/c1-8-9-5-11(17)12(19)7-13(9)24-16(23)10(8)6-14(20)18-4-2-3-15(21)22/h5,7,19H,2-4,6H2,1H3,(H,18,20)(H,21,22)