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

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

CCCCC(C(=O)O)NC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

Isomeric SMILES

CCCC[C@H](C(=O)O)NC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

InChI

InChI=1S/C19H22ClNO6/c1-3-4-5-14(18(24)25)21-17(23)7-6-11-10(2)12-8-13(20)15(22)9-16(12)27-19(11)26/h8-9,14,22H,3-7H2,1-2H3,(H,21,23)(H,24,25)/t14-/m1/s1