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

Systemtic Name: 4-[[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC3CCC(CC3)C(=O)O)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC3CCC(CC3)C(=O)O)C)C(=C1)O

InChI

InChI=1S/C21H25NO6/c1-11-7-16(23)19-12(2)15(21(27)28-17(19)8-11)9-18(24)22-10-13-3-5-14(6-4-13)20(25)26/h7-8,13-14,23H,3-6,9-10H2,1-2H3,(H,22,24)(H,25,26)