6-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]hexanoic acid Openeye Name: 6-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]hexanoic acid Traditional Name: 6-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]hexanoic acid Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO6/c1-4-5-6-8-11-20-17(2)19-13-14-21(18(3)24(19)32-25(20)30)31-16-22(27)26-15-10-7-9-12-23(28)29/h13-14H,4-12,15-16H2,1-3H3,(H,26,27)(H,28,29)