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

Systemtic Name: 6-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]hexanoic acid Openeye Name: 6-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]hexanoic acid CAS Name: 6-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]hexanoic acid Traditional Name: 6-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]hexanoic acid Formula: C19H22ClNO6 MolecularWeight: 395.83408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO6/c1-11-12(6-7-17(23)21-8-4-2-3-5-18(24)25)19(26)27-16-10-15(22)14(20)9-13(11)16/h9-10,22H,2-8H2,1H3,(H,21,23)(H,24,25)