ethanedioic acid; 1-(4-phenylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(4-phenylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol Openeye Name: oxalic acid; 1-(4-phenylphenoxy)-3-(3-pyridylmethylamino)propan-2-ol CAS Name: oxalic acid; 1-(4-phenylphenoxy)-3-(3-pyridinylmethylamino)-2-propanol IUPAC Name: oxalic acid; 1-(4-phenylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol Traditional Name: oxalic acid; 1-(4-phenylphenoxy)-3-(3-pyridylmethylamino)propan-2-ol Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CNCC3=CN=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CNCC3=CN=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O2.C2H2O4/c24-20(15-23-14-17-5-4-12-22-13-17)16-25-21-10-8-19(9-11-21)18-6-2-1-3-7-18;3-1(4)2(5)6/h1-13,20,23-24H,14-16H2;(H,3,4)(H,5,6)