bis[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylcarbamoyl]piperazino] ester Formula: C40H68N8O6 MolecularWeight: 757.01792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)NCC34CCC(CC3)(CC4)CN)C(=O)ON5CCN(CC5)C(=O)NCC67CCC(CC6)(CC7)CN

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)NCC34CCC(CC3)(CC4)CN)C(=O)ON5CCN(CC5)C(=O)NCC67CCC(CC6)(CC7)CN

InChI

InChI=1S/C40H68N8O6/c41-27-37-7-13-39(14-8-37,15-9-37)29-43-35(51)45-19-23-47(24-20-45)53-33(49)31-3-1-4-32(6-2-5-31)34(50)54-48-25-21-46(22-26-48)36(52)44-30-40-16-10-38(28-42,11-17-40)12-18-40/h31-32H,1-30,41-42H2,(H,43,51)(H,44,52)