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

Systemtic Name: 4-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoic acid Openeye Name: 4-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoic acid CAS Name: 4-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid Traditional Name: 4-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyric acid Formula: C17H18ClNO6 MolecularWeight: 367.78092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO6/c1-9-10(4-5-15(21)19-6-2-3-16(22)23)17(24)25-14-8-13(20)12(18)7-11(9)14/h7-8,20H,2-6H2,1H3,(H,19,21)(H,22,23)