ethanedioic acid; 1-pyridin-2-yl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine

Systemtic Name: ethanedioic acid; 1-pyridin-2-yl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine Openeye Name: oxalic acid; 1-(2-pyridyl)-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine CAS Name: oxalic acid; 1-(2-pyridinyl)-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine IUPAC Name: oxalic acid; 1-pyridin-2-yl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine Traditional Name: oxalic acid; 1-(2-pyridyl)-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine Formula: C23H31N3O7 MolecularWeight: 461.50814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3O3.C2H2O4/c1-25-18-15-17(16-19(26-2)21(18)27-3)7-6-10-23-11-13-24(14-12-23)20-8-4-5-9-22-20;3-1(4)2(5)6/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3;(H,3,4)(H,5,6)