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

Systemtic Name: bis[4-[[4-(2-azanylethyl)phenyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[[4-(2-aminoethyl)phenyl]methylamino]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[4-(2-aminoethyl)benzyl]carbamoyl]piperazino] ester Formula: C38H56N8O6 MolecularWeight: 720.90124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N8O6/c39-17-15-29-7-11-31(12-8-29)27-41-37(49)43-19-23-45(24-20-43)51-35(47)33-3-1-4-34(6-2-5-33)36(48)52-46-25-21-44(22-26-46)38(50)42-28-32-13-9-30(10-14-32)16-18-40/h7-14,33-34H,1-6,15-28,39-40H2,(H,41,49)(H,42,50)