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

Systemtic Name: 3-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoate Openeye Name: 3-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: 3-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanoate IUPAC Name: 3-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: 3-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C22H28NO6- MolecularWeight: 402.46082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-4-5-6-7-8-17-14(2)16-9-10-18(15(3)21(16)29-22(17)27)28-13-19(24)23-12-11-20(25)26/h9-10H,4-8,11-13H2,1-3H3,(H,23,24)(H,25,26)/p-1