ethanedioic acid; N2-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridine-2,5-diamine

Systemtic Name: ethanedioic acid; N2-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridine-2,5-diamine Openeye Name: oxalic acid; N2-[3-[4-[3-(1-piperidyl)propoxy]phenyl]propyl]pyridine-2,5-diamine CAS Name: oxalic acid; N2-[3-[4-[3-(1-piperidinyl)propoxy]phenyl]propyl]pyridine-2,5-diamine IUPAC Name: oxalic acid; 2-N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridine-2,5-diamine Traditional Name: (5-amino-2-pyridyl)-[3-[4-(3-piperidinopropoxy)phenyl]propyl]amine; oxalic acid Formula: C28H38N4O13 MolecularWeight: 638.62032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCNC3=NC=C(C=C3)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCNC3=NC=C(C=C3)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H32N4O.3C2H2O4/c23-20-9-12-22(25-18-20)24-13-4-6-19-7-10-21(11-8-19)27-17-5-16-26-14-2-1-3-15-26;3*3-1(4)2(5)6/h7-12,18H,1-6,13-17,23H2,(H,24,25);3*(H,3,4)(H,5,6)