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

Systemtic Name: bis[4-[2-(4-carbamimidoylphenyl)ethanoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[2-(4-carbamimidoylphenyl)acetyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[2-(4-carbamimidoylphenyl)-1-oxoethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[2-(4-carbamimidoylphenyl)acetyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[2-(4-amidinophenyl)acetyl]piperazino] ester Formula: C36H48N8O6 MolecularWeight: 688.81632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48N8O6/c37-33(38)27-11-7-25(8-12-27)23-31(45)41-15-19-43(20-16-41)49-35(47)29-3-1-4-30(6-2-5-29)36(48)50-44-21-17-42(18-22-44)32(46)24-26-9-13-28(14-10-26)34(39)40/h7-14,29-30H,1-6,15-24H2,(H3,37,38)(H3,39,40)