(2S)-2-[2-[3-(2-ethoxyphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-[3-(2-ethoxyphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl]oxyacetyl]amino]propanoate CAS Name: (2S)-2-[[2-[[3-(2-ethoxyphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[3-(2-ethoxyphenoxy)-4-keto-chromen-7-yl]oxyacetyl]amino]propionate Formula: C22H20NO8- MolecularWeight: 426.3961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C22H21NO8/c1-3-28-16-6-4-5-7-17(16)31-19-11-30-18-10-14(8-9-15(18)21(19)25)29-12-20(24)23-13(2)22(26)27/h4-11,13H,3,12H2,1-2H3,(H,23,24)(H,26,27)/p-1/t13-/m0/s1