4-[[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-3-15-10-20(25)29-18-9-13(2)8-17(21(15)18)28-12-19(24)23-11-14-4-6-16(7-5-14)22(26)27/h8-10,14,16H,3-7,11-12H2,1-2H3,(H,23,24)(H,26,27)