bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate hydrate dihydrochloride

Systemtic Name: bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate hydrate dihydrochloride Openeye Name: bis[1-(4-phenyl-4-piperidyl)ethyl] benzene-1,4-dicarboxylate hydrate dihydrochloride CAS Name: benzene-1,4-dicarboxylic acid bis[1-(4-phenyl-4-piperidinyl)ethyl] ester hydrate dihydrochloride IUPAC Name: bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate hydrate dihydrochloride Traditional Name: benzene-1,4-dicarboxylic acid bis[1-(4-phenyl-4-piperidyl)ethyl] ester hydrate dihydrochloride Formula: C34H44Cl2N2O5 MolecularWeight: 631.62956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCNCC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(=O)OC(C)C4(CCNCC4)C5=CC=CC=C5.O.Cl.Cl

Isomeric SMILES

CC(C1(CCNCC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(=O)OC(C)C4(CCNCC4)C5=CC=CC=C5.O.Cl.Cl

InChI

InChI=1S/C34H40N2O4.2ClH.H2O/c1-25(33(17-21-35-22-18-33)29-9-5-3-6-10-29)39-31(37)27-13-15-28(16-14-27)32(38)40-26(2)34(19-23-36-24-20-34)30-11-7-4-8-12-30;;;/h3-16,25-26,35-36H,17-24H2,1-2H3;2*1H;1H2