4-[[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]amino]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)OCC(=O)NCC3CCC(CC3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-12-13(2)22(27)29-20-14(3)18(9-8-17(12)20)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)