ethanedioic acid; 5-nitro-N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridin-2-amine

Systemtic Name: ethanedioic acid; 5-nitro-N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridin-2-amine Openeye Name: 5-nitro-N-[3-[4-[3-(1-piperidyl)propoxy]phenyl]propyl]pyridin-2-amine; oxalic acid CAS Name: 5-nitro-N-[3-[4-[3-(1-piperidinyl)propoxy]phenyl]propyl]-2-pyridinamine; oxalic acid IUPAC Name: 5-nitro-N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridin-2-amine; oxalic acid Traditional Name: (5-nitro-2-pyridyl)-[3-[4-(3-piperidinopropoxy)phenyl]propyl]amine; oxalic acid Formula: C24H32N4O7 MolecularWeight: 488.53348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCNC3=NC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCNC3=NC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N4O3.C2H2O4/c27-26(28)20-9-12-22(24-18-20)23-13-4-6-19-7-10-21(11-8-19)29-17-5-16-25-14-2-1-3-15-25;3-1(4)2(5)6/h7-12,18H,1-6,13-17H2,(H,23,24);(H,3,4)(H,5,6)