4-[[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7/c1-10-14(20(27)28-16-7-13(22)6-15(23)18(10)16)8-17(24)21-9-11-2-4-12(5-3-11)19(25)26/h6-7,11-12,22-23H,2-5,8-9H2,1H3,(H,21,24)(H,25,26)