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

Systemtic Name: bis[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[4-(aminomethyl)benzyl]carbamoyl]piperazino] ester Formula: C36H52N8O6 MolecularWeight: 692.84808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)NCC3=CC=C(C=C3)CN)C(=O)ON4CCN(CC4)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)NCC3=CC=C(C=C3)CN)C(=O)ON4CCN(CC4)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C36H52N8O6/c37-23-27-7-11-29(12-8-27)25-39-35(47)41-15-19-43(20-16-41)49-33(45)31-3-1-4-32(6-2-5-31)34(46)50-44-21-17-42(18-22-44)36(48)40-26-30-13-9-28(24-38)10-14-30/h7-14,31-32H,1-6,15-26,37-38H2,(H,39,47)(H,40,48)