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

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]hexanoic acid Openeye Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]hexanoic acid CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid Traditional Name: 2-[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)NC(CCCC)C(=O)O)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CCCC)C(=O)O)C)OC1=O)C

InChI

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