2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]ethanoate

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]ethanoate Openeye Name: 2-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]acetate CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetate Traditional Name: 2-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]acetate Formula: C21H26NO6- MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)NCC(=O)[O-])C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)NCC(=O)[O-])C)OC1=O)C

InChI

InChI=1S/C21H27NO6/c1-4-5-6-7-8-16-13(2)15-9-10-17(14(3)20(15)28-21(16)26)27-12-18(23)22-11-19(24)25/h9-10H,4-8,11-12H2,1-3H3,(H,22,23)(H,24,25)/p-1