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

Systemtic Name: 6-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]hexanoic acid Openeye Name: 6-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]hexanoic acid CAS Name: 6-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid Traditional Name: 6-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]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)OC(C)C(=O)NCCCCCC(=O)O)OC1=O)C

Isomeric SMILES

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

InChI

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