bis[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

Systemtic Name: bis[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate Openeye Name: bis[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate CAS Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid bis[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl] ester IUPAC Name: bis[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate Traditional Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid bis[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl] ester Formula: C50H64N4O6 MolecularWeight: 817.06636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C(=O)OCC(CN5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C(=O)OCC(CN5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)O)C

InChI

InChI=1S/C50H64N4O6/c1-49(2)44(47(57)59-36-42(55)34-51-26-30-53(31-27-51)45(38-16-8-4-9-17-38)39-18-10-5-11-19-39)24-25-50(49,3)48(58)60-37-43(56)35-52-28-32-54(33-29-52)46(40-20-12-6-13-21-40)41-22-14-7-15-23-41/h4-23,42-46,55-56H,24-37H2,1-3H3