bis[4-[4-(aminomethyl)cyclohexyl]carbonyl-1,4-diazepan-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[4-(aminomethyl)cyclohexyl]carbonyl-1,4-diazepan-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[4-(aminomethyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[4-(aminomethyl)cyclohexyl]-oxomethyl]-1,4-diazepan-1-yl] ester IUPAC Name: bis[4-[4-(aminomethyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[4-(aminomethyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl] ester Formula: C36H62N6O6 MolecularWeight: 674.91408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ON2CCCN(CC2)C(=O)C3CCC(CC3)CN)C(=O)ON4CCCN(CC4)C(=O)C5CCC(CC5)CN

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCCN(CC2)C(=O)C3CCC(CC3)CN)C(=O)ON4CCCN(CC4)C(=O)C5CCC(CC5)CN

InChI

InChI=1S/C36H62N6O6/c37-25-27-9-13-29(14-10-27)33(43)39-17-3-19-41(23-21-39)47-35(45)31-5-1-6-32(8-2-7-31)36(46)48-42-20-4-18-40(22-24-42)34(44)30-15-11-28(26-38)12-16-30/h27-32H,1-26,37-38H2