trisodium 5-acetyloxy-4-[ethyl(phenyl)carbamoyl]-1-methyl-heptane-1,2,3-tricarboxylate

Systemtic Name: trisodium 5-acetyloxy-4-[ethyl(phenyl)carbamoyl]-1-methyl-heptane-1,2,3-tricarboxylate Openeye Name: trisodium 5-acetoxy-4-[ethyl(phenyl)carbamoyl]-1-methyl-heptane-1,2,3-tricarboxylate CAS Name: trisodium 5-acetyloxy-4-[(N-ethylanilino)-oxomethyl]-1-methylheptane-1,2,3-tricarboxylate IUPAC Name: trisodium 5-acetyloxy-4-[ethyl(phenyl)carbamoyl]-1-methylheptane-1,2,3-tricarboxylate Traditional Name: trisodium 5-acetoxy-4-[ethyl(phenyl)carbamoyl]-1-methyl-heptane-1,2,3-tricarboxylate Formula: C22H26NNa3O9 MolecularWeight: 517.41245

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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)N(CC)C1=CC=CC=C1)OC(=O)C.[Na+].[Na+].[Na+]

Isomeric SMILES

CCC(C(C(C(C(C)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)N(CC)C1=CC=CC=C1)OC(=O)C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H29NO9.3Na/c1-5-15(32-13(4)24)17(19(25)23(6-2)14-10-8-7-9-11-14)18(22(30)31)16(21(28)29)12(3)20(26)27;;;/h7-12,15-18H,5-6H2,1-4H3,(H,26,27)(H,28,29)(H,30,31);;;/q;3*+1/p-3