5-(2-chloroethyloxy)-4-(4,5-dihydroimidazol-1-ylcarbonyl)-1-methyl-heptane-1,2,3-tricarboxylic acid

Systemtic Name: 5-(2-chloroethyloxy)-4-(4,5-dihydroimidazol-1-ylcarbonyl)-1-methyl-heptane-1,2,3-tricarboxylic acid Openeye Name: 5-(2-chloroethoxy)-4-(4,5-dihydroimidazole-1-carbonyl)-1-methyl-heptane-1,2,3-tricarboxylic acid CAS Name: 5-(2-chloroethoxy)-4-[4,5-dihydroimidazol-1-yl(oxo)methyl]-1-methylheptane-1,2,3-tricarboxylic acid IUPAC Name: 5-(2-chloroethoxy)-4-(4,5-dihydroimidazole-1-carbonyl)-1-methylheptane-1,2,3-tricarboxylic acid Traditional Name: 5-(2-chloroethoxy)-4-(2-imidazoline-1-carbonyl)-1-methyl-heptane-1,2,3-tricarboxylic acid Formula: C17H25ClN2O8 MolecularWeight: 420.842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)N1CCN=C1)OCCCl

Isomeric SMILES

CCC(C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)N1CCN=C1)OCCCl

InChI

InChI=1S/C17H25ClN2O8/c1-3-10(28-7-4-18)12(14(21)20-6-5-19-8-20)13(17(26)27)11(16(24)25)9(2)15(22)23/h8-13H,3-7H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)