4-[[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-12-16-7-9-18(24)13(2)20(16)29-22(28)17(12)8-10-19(25)23-11-14-3-5-15(6-4-14)21(26)27/h7,9,14-15,24H,3-6,8,10-11H2,1-2H3,(H,23,25)(H,26,27)