trisodium 1-methyl-4-morpholin-4-ylcarbonyl-5-phenyl-heptane-1,2,3-tricarboxylate

Systemtic Name: trisodium 1-methyl-4-morpholin-4-ylcarbonyl-5-phenyl-heptane-1,2,3-tricarboxylate Openeye Name: trisodium 1-methyl-4-(morpholine-4-carbonyl)-5-phenyl-heptane-1,2,3-tricarboxylate CAS Name: trisodium 1-methyl-4-[4-morpholinyl(oxo)methyl]-5-phenylheptane-1,2,3-tricarboxylate IUPAC Name: trisodium 1-methyl-4-(morpholine-4-carbonyl)-5-phenylheptane-1,2,3-tricarboxylate Traditional Name: trisodium 1-methyl-4-(morpholine-4-carbonyl)-5-phenyl-heptane-1,2,3-tricarboxylate Formula: C22H26NNa3O8 MolecularWeight: 501.41305

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)N2CCOCC2.[Na+].[Na+].[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)N2CCOCC2.[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H29NO8.3Na/c1-3-15(14-7-5-4-6-8-14)17(19(24)23-9-11-31-12-10-23)18(22(29)30)16(21(27)28)13(2)20(25)26;;;/h4-8,13,15-18H,3,9-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30);;;/q;3*+1/p-3