Analyte Name

2,6-Dimethyl-4-(3-nitrophenyl)-3,5-Pyridinedicarboxylic Acid 3-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl] 5-methyl Ester

CAS Number

104305-93-3

Molecular Formula

C35 H36 N4 O6

Molecular Weight

608.683

Accurate Mass

608.263

SMILES

COC(=O)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c1c5cccc(c5)[N+](=O)[O-]

InChI

InChI=1S/C35H36N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,33H,17-22H2,1-3H3

IUPAC

3-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat