bis[4-[4-(2-azanylethyl)phenyl]carbonylpiperazin-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[4-(2-azanylethyl)phenyl]carbonylpiperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[4-(2-aminoethyl)benzoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[4-(2-aminoethyl)phenyl]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[4-(2-aminoethyl)benzoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[4-(2-aminoethyl)benzoyl]piperazino] ester Formula: C36H50N6O6 MolecularWeight: 662.8188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)C3=CC=C(C=C3)CCN)C(=O)ON4CCN(CC4)C(=O)C5=CC=C(C=C5)CCN

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)C3=CC=C(C=C3)CCN)C(=O)ON4CCN(CC4)C(=O)C5=CC=C(C=C5)CCN

InChI

InChI=1S/C36H50N6O6/c37-17-15-27-7-11-29(12-8-27)33(43)39-19-23-41(24-20-39)47-35(45)31-3-1-4-32(6-2-5-31)36(46)48-42-25-21-40(22-26-42)34(44)30-13-9-28(10-14-30)16-18-38/h7-14,31-32H,1-6,15-26,37-38H2