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

Systemtic Name: 4-[[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO6/c1-10-13-6-15(21)16(23)8-17(13)28-20(27)14(10)7-18(24)22-9-11-2-4-12(5-3-11)19(25)26/h6,8,11-12,23H,2-5,7,9H2,1H3,(H,22,24)(H,25,26)