bis[(1-methyl-4-phenyl-piperidin-4-yl)methyl] benzene-1,4-dicarboxylate dihydrochloride

Systemtic Name: bis[(1-methyl-4-phenyl-piperidin-4-yl)methyl] benzene-1,4-dicarboxylate dihydrochloride Openeye Name: bis[(1-methyl-4-phenyl-4-piperidyl)methyl] benzene-1,4-dicarboxylate dihydrochloride CAS Name: benzene-1,4-dicarboxylic acid bis[(1-methyl-4-phenyl-4-piperidinyl)methyl] ester dihydrochloride IUPAC Name: bis[(1-methyl-4-phenylpiperidin-4-yl)methyl] benzene-1,4-dicarboxylate dihydrochloride Traditional Name: benzene-1,4-dicarboxylic acid bis[(1-methyl-4-phenyl-4-piperidyl)methyl] ester dihydrochloride Formula: C34H42Cl2N2O4 MolecularWeight: 613.61428

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(COC(=O)C2=CC=C(C=C2)C(=O)OCC3(CCN(CC3)C)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

CN1CCC(CC1)(COC(=O)C2=CC=C(C=C2)C(=O)OCC3(CCN(CC3)C)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

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