3-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NCCC(=O)O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NCCC(=O)O)OC1=O)C

InChI

InChI=1S/C21H27NO6/c1-3-4-5-6-7-17-14(2)16-9-8-15(12-18(16)28-21(17)26)27-13-19(23)22-11-10-20(24)25/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,22,23)(H,24,25)