4-[[2-[3-(2-ethoxyphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-[3-(2-ethoxyphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl]oxyacetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[[3-(2-ethoxyphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-[3-(2-ethoxyphenoxy)-4-keto-chromen-7-yl]oxyacetyl]amino]methyl]cyclohexanecarboxylate Formula: C27H28NO8- MolecularWeight: 494.51312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)NCC4CCC(CC4)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)NCC4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C27H29NO8/c1-2-33-21-5-3-4-6-22(21)36-24-15-35-23-13-19(11-12-20(23)26(24)30)34-16-25(29)28-14-17-7-9-18(10-8-17)27(31)32/h3-6,11-13,15,17-18H,2,7-10,14,16H2,1H3,(H,28,29)(H,31,32)/p-1