5-(dioxidanylmethyl)-4-ethanoyl-2-[6-(methylamino)hexylcarbamoyl]benzoic acid

Systemtic Name: 5-(dioxidanylmethyl)-4-ethanoyl-2-[6-(methylamino)hexylcarbamoyl]benzoic acid Openeye Name: 4-acetyl-5-(hydroperoxymethyl)-2-[6-(methylamino)hexylcarbamoyl]benzoic acid CAS Name: 4-acetyl-5-(hydroperoxymethyl)-2-[[6-(methylamino)hexylamino]-oxomethyl]benzoic acid IUPAC Name: 4-acetyl-5-(hydroperoxymethyl)-2-[6-(methylamino)hexylcarbamoyl]benzoic acid Traditional Name: 4-acetyl-5-(hydroperoxymethyl)-2-[6-(methylamino)hexylcarbamoyl]benzoic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C(=C1)C(=O)NCCCCCCNC)C(=O)O)COO

Isomeric SMILES

CC(=O)C1=C(C=C(C(=C1)C(=O)NCCCCCCNC)C(=O)O)COO

InChI

InChI=1S/C18H26N2O6/c1-12(21)14-10-15(16(18(23)24)9-13(14)11-26-25)17(22)20-8-6-4-3-5-7-19-2/h9-10,19,25H,3-8,11H2,1-2H3,(H,20,22)(H,23,24)