ethanedioic acid; 3-[1-(4-imidazol-1-ylphenyl)ethylamino]propane-1,2-diol

Systemtic Name: ethanedioic acid; 3-[1-(4-imidazol-1-ylphenyl)ethylamino]propane-1,2-diol Openeye Name: 3-[1-(4-imidazol-1-ylphenyl)ethylamino]propane-1,2-diol; oxalic acid CAS Name: 3-[1-[4-(1-imidazolyl)phenyl]ethylamino]propane-1,2-diol; oxalic acid IUPAC Name: 3-[1-(4-imidazol-1-ylphenyl)ethylamino]propane-1,2-diol; oxalic acid Traditional Name: 3-[1-(4-imidazol-1-ylphenyl)ethylamino]propane-1,2-diol; oxalic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC(CO)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC(CO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O2.C2H2O4/c1-11(16-8-14(19)9-18)12-2-4-13(5-3-12)17-7-6-15-10-17;3-1(4)2(5)6/h2-7,10-11,14,16,18-19H,8-9H2,1H3;(H,3,4)(H,5,6)