bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] heptanedioate

Systemtic Name: bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] heptanedioate Openeye Name: bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] heptanedioate CAS Name: heptanedioic acid bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] ester IUPAC Name: bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] heptanedioate Traditional Name: pimelic acid bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] ester Formula: C27H48N4O4 MolecularWeight: 492.69442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CCCC(C1)N2CCOC(=O)CCCCCC(=O)OCCN3C4CCCC3CN(C4)C

Isomeric SMILES

CN1CC2CCCC(C1)N2CCOC(=O)CCCCCC(=O)OCCN3C4CCCC3CN(C4)C

InChI

InChI=1S/C27H48N4O4/c1-28-18-22-8-6-9-23(19-28)30(22)14-16-34-26(32)12-4-3-5-13-27(33)35-17-15-31-24-10-7-11-25(31)21-29(2)20-24/h22-25H,3-21H2,1-2H3