bis[2-(2-heptylpyrrolidin-1-yl)ethyl] benzene-1,4-dicarboxylate dihydrochloride

Systemtic Name: bis[2-(2-heptylpyrrolidin-1-yl)ethyl] benzene-1,4-dicarboxylate dihydrochloride Openeye Name: bis[2-(2-heptylpyrrolidin-1-yl)ethyl] benzene-1,4-dicarboxylate dihydrochloride CAS Name: benzene-1,4-dicarboxylic acid bis[2-(2-heptyl-1-pyrrolidinyl)ethyl] ester dihydrochloride IUPAC Name: bis[2-(2-heptylpyrrolidin-1-yl)ethyl] benzene-1,4-dicarboxylate dihydrochloride Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(2-heptylpyrrolidino)ethyl] ester dihydrochloride Formula: C34H58Cl2N2O4 MolecularWeight: 629.74132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCN1CCOC(=O)C2=CC=C(C=C2)C(=O)OCCN3CCCC3CCCCCCC.Cl.Cl

Isomeric SMILES

CCCCCCCC1CCCN1CCOC(=O)C2=CC=C(C=C2)C(=O)OCCN3CCCC3CCCCCCC.Cl.Cl

InChI

InChI=1S/C34H56N2O4.2ClH/c1-3-5-7-9-11-15-31-17-13-23-35(31)25-27-39-33(37)29-19-21-30(22-20-29)34(38)40-28-26-36-24-14-18-32(36)16-12-10-8-6-4-2;;/h19-22,31-32H,3-18,23-28H2,1-2H3;2*1H