bis[3-(dibutylamino)propyl] benzene-1,4-dicarboxylate hydrochloride

Systemtic Name: bis[3-(dibutylamino)propyl] benzene-1,4-dicarboxylate hydrochloride Openeye Name: bis[3-(dibutylamino)propyl] benzene-1,4-dicarboxylate hydrochloride CAS Name: benzene-1,4-dicarboxylic acid bis[3-(dibutylamino)propyl] ester hydrochloride IUPAC Name: bis[3-(dibutylamino)propyl] benzene-1,4-dicarboxylate hydrochloride Traditional Name: benzene-1,4-dicarboxylic acid bis[3-(dibutylamino)propyl] ester hydrochloride Formula: C30H53ClN2O4 MolecularWeight: 541.20582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCN(CCCC)CCCC.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCN(CCCC)CCCC.Cl

InChI

InChI=1S/C30H52N2O4.ClH/c1-5-9-19-31(20-10-6-2)23-13-25-35-29(33)27-15-17-28(18-16-27)30(34)36-26-14-24-32(21-11-7-3)22-12-8-4;/h15-18H,5-14,19-26H2,1-4H3;1H