ethanedioic acid; 3-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol

Systemtic Name: ethanedioic acid; 3-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol Openeye Name: oxalic acid; 3-[[phenyl(4-pyridyl)methyl]amino]propan-1-ol CAS Name: oxalic acid; 3-[[phenyl(pyridin-4-yl)methyl]amino]-1-propanol IUPAC Name: oxalic acid; 3-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol Traditional Name: oxalic acid; 3-[[phenyl(4-pyridyl)methyl]amino]propan-1-ol Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=NC=C2)NCCCO.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=NC=C2)NCCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O.C2H2O4/c18-12-4-9-17-15(13-5-2-1-3-6-13)14-7-10-16-11-8-14;3-1(4)2(5)6/h1-3,5-8,10-11,15,17-18H,4,9,12H2;(H,3,4)(H,5,6)