5-[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)oxycarbonyl]piperazin-1-yl]carbonyloxy-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)oxycarbonyl]piperazin-1-yl]carbonyloxy-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)oxycarbonyl]piperazine-1-carbonyl]oxy-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)oxy-oxomethyl]-1-piperazinyl]-oxomethoxy]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)oxycarbonyl]piperazine-1-carbonyl]oxy-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[4-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)oxycarbonyl]piperazine-1-carbonyl]oxy-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C18H26N2O12 MolecularWeight: 462.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H26N2O12/c1-17(13(21)22)27-7-11(8-28-17)31-15(25)19-3-5-20(6-4-19)16(26)32-12-9-29-18(2,14(23)24)30-10-12/h11-12H,3-10H2,1-2H3,(H,21,22)(H,23,24)