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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O

InChI

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