ethanedioic acid; 3-(1-phenylethylamino)propane-1,2-diol

Systemtic Name: ethanedioic acid; 3-(1-phenylethylamino)propane-1,2-diol Openeye Name: oxalic acid; 3-(1-phenylethylamino)propane-1,2-diol CAS Name: oxalic acid; 3-(1-phenylethylamino)propane-1,2-diol IUPAC Name: oxalic acid; 3-(1-phenylethylamino)propane-1,2-diol Traditional Name: oxalic acid; 3-(1-phenylethylamino)propane-1,2-diol Formula: C13H19NO6 MolecularWeight: 285.29306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC(CO)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC(CO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H17NO2.C2H2O4/c1-9(12-7-11(14)8-13)10-5-3-2-4-6-10;3-1(4)2(5)6/h2-6,9,11-14H,7-8H2,1H3;(H,3,4)(H,5,6)