4-[[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24ClNO6/c1-11-14(21(28)29-18-9-17(24)16(22)8-15(11)18)6-7-19(25)23-10-12-2-4-13(5-3-12)20(26)27/h8-9,12-13,24H,2-7,10H2,1H3,(H,23,25)(H,26,27)