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

Systemtic Name: 4-[[2-[(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl)oxy]ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCC3CCC(CC3)C(=O)O)O)C

Isomeric SMILES

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCC3CCC(CC3)C(=O)O)O)C

InChI

InChI=1S/C21H27NO7/c1-21(2)9-16(24)19-15(23)7-14(8-17(19)29-21)28-11-18(25)22-10-12-3-5-13(6-4-12)20(26)27/h7-8,12-13,23H,3-6,9-11H2,1-2H3,(H,22,25)(H,26,27)