bis[4-[2-(2-azanylethyl)piperidin-1-yl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[2-(2-azanylethyl)piperidin-1-yl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[2-(2-aminoethyl)-1-piperidyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[2-(2-aminoethyl)-1-piperidinyl]-1-piperazinyl] ester IUPAC Name: bis[4-[2-(2-aminoethyl)piperidin-1-yl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[2-(2-aminoethyl)piperidino]piperazino] ester Formula: C32H60N8O4 MolecularWeight: 620.87

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN)N2CCN(CC2)OC(=O)C3CCCC(CCC3)C(=O)ON4CCN(CC4)N5CCCCC5CCN

Isomeric SMILES

C1CCN(C(C1)CCN)N2CCN(CC2)OC(=O)C3CCCC(CCC3)C(=O)ON4CCN(CC4)N5CCCCC5CCN

InChI

InChI=1S/C32H60N8O4/c33-15-13-29-11-1-3-17-39(29)35-19-23-37(24-20-35)43-31(41)27-7-5-9-28(10-6-8-27)32(42)44-38-25-21-36(22-26-38)40-18-4-2-12-30(40)14-16-34/h27-30H,1-26,33-34H2