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

Systemtic Name: bis[4-[4-(2-azanylpropyl)phenyl]carbonylpiperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[4-(2-aminopropyl)benzoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[4-(2-aminopropyl)phenyl]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[4-(2-aminopropyl)benzoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[4-(2-aminopropyl)benzoyl]piperazino] ester Formula: C38H54N6O6 MolecularWeight: 690.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)N2CCN(CC2)OC(=O)C3CCCC(CCC3)C(=O)ON4CCN(CC4)C(=O)C5=CC=C(C=C5)CC(C)N)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)N2CCN(CC2)OC(=O)C3CCCC(CCC3)C(=O)ON4CCN(CC4)C(=O)C5=CC=C(C=C5)CC(C)N)N

InChI

InChI=1S/C38H54N6O6/c1-27(39)25-29-9-13-31(14-10-29)35(45)41-17-21-43(22-18-41)49-37(47)33-5-3-7-34(8-4-6-33)38(48)50-44-23-19-42(20-24-44)36(46)32-15-11-30(12-16-32)26-28(2)40/h9-16,27-28,33-34H,3-8,17-26,39-40H2,1-2H3