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

Systemtic Name: ethanedioic acid; 5-nitro-N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]pyridin-2-amine Openeye Name: 5-nitro-N-[4-[4-[3-(1-piperidyl)propoxy]phenyl]butyl]pyridin-2-amine; oxalic acid CAS Name: 5-nitro-N-[4-[4-[3-(1-piperidinyl)propoxy]phenyl]butyl]-2-pyridinamine; oxalic acid IUPAC Name: 5-nitro-N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]pyridin-2-amine; oxalic acid Traditional Name: (5-nitro-2-pyridyl)-[4-[4-(3-piperidinopropoxy)phenyl]butyl]amine; oxalic acid Formula: C25H34N4O7 MolecularWeight: 502.56006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCCNC3=NC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCCNC3=NC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N4O3.C2H2O4/c28-27(29)21-10-13-23(25-19-21)24-14-3-2-7-20-8-11-22(12-9-20)30-18-6-17-26-15-4-1-5-16-26;3-1(4)2(5)6/h8-13,19H,1-7,14-18H2,(H,24,25);(H,3,4)(H,5,6)