4-[[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3,4,7-trimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl)oxy]ethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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