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

Systemtic Name: 4-[[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H25NO6/c1-12-13(2)21(26)28-18-9-16(7-8-17(12)18)27-11-19(23)22-10-14-3-5-15(6-4-14)20(24)25/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,22,23)(H,24,25)