ethanedioic acid; 3-[2-methyl-3-[1-(morpholin-4-ylcarbonylamino)ethylamino]-3-oxidanyl-butan-2-yl]benzoate

Systemtic Name: ethanedioic acid; 3-[2-methyl-3-[1-(morpholin-4-ylcarbonylamino)ethylamino]-3-oxidanyl-butan-2-yl]benzoate Openeye Name: 3-[2-hydroxy-1,1-dimethyl-2-[1-(morpholine-4-carbonylamino)ethylamino]propyl]benzoate; oxalic acid CAS Name: 3-[3-hydroxy-2-methyl-3-[1-[[4-morpholinyl(oxo)methyl]amino]ethylamino]butan-2-yl]benzoate; oxalic acid IUPAC Name: 3-[3-hydroxy-2-methyl-3-[1-(morpholine-4-carbonylamino)ethylamino]butan-2-yl]benzoate; oxalic acid Traditional Name: 3-[2-hydroxy-1,1-dimethyl-2-[1-(morpholine-4-carbonylamino)ethylamino]propyl]benzoate; oxalic acid Formula: C21H30N3O9- MolecularWeight: 468.4776

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)N1CCOCC1)NC(C)(C(C)(C)C2=CC=CC(=C2)C(=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(NC(=O)N1CCOCC1)NC(C)(C(C)(C)C2=CC=CC(=C2)C(=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O5.C2H2O4/c1-13(20-17(25)22-8-10-27-11-9-22)21-19(4,26)18(2,3)15-7-5-6-14(12-15)16(23)24;3-1(4)2(5)6/h5-7,12-13,21,26H,8-11H2,1-4H3,(H,20,25)(H,23,24);(H,3,4)(H,5,6)/p-1