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

Systemtic Name: 6-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]hexanoic acid Openeye Name: 6-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]hexanoic acid CAS Name: 6-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid Traditional Name: 6-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]hexanoic acid Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO6/c1-5-6-7-9-12-21-17(2)20-14-15-22(18(3)24(20)33-26(21)31)32-19(4)25(30)27-16-11-8-10-13-23(28)29/h14-15,19H,5-13,16H2,1-4H3,(H,27,30)(H,28,29)