bis[4-[2-[4-(aminomethyl)phenyl]ethanoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[2-[4-(aminomethyl)phenyl]ethanoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[2-[4-(aminomethyl)phenyl]acetyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[2-[4-(aminomethyl)phenyl]-1-oxoethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[2-[4-(aminomethyl)phenyl]acetyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[2-[4-(aminomethyl)phenyl]acetyl]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)CC3=CC=C(C=C3)CN)C(=O)ON4CCN(CC4)C(=O)CC5=CC=C(C=C5)CN

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)CC3=CC=C(C=C3)CN)C(=O)ON4CCN(CC4)C(=O)CC5=CC=C(C=C5)CN

InChI

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