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

Systemtic Name: (2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]hexanoic acid Openeye Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]hexanoic acid CAS Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]hexanoic acid Traditional Name: (2R)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]hexanoic acid Formula: C18H20ClNO6 MolecularWeight: 381.8075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

Isomeric SMILES

CCCC[C@H](C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

InChI

InChI=1S/C18H20ClNO6/c1-3-4-5-13(17(23)24)20-16(22)7-11-9(2)10-6-12(19)14(21)8-15(10)26-18(11)25/h6,8,13,21H,3-5,7H2,1-2H3,(H,20,22)(H,23,24)/t13-/m1/s1