1-[3-(5-chloranyl-2-phenethyloxy-phenyl)propyl]-4-pyridin-2-yl-piperazine; ethanedioic acid

Systemtic Name: 1-[3-(5-chloranyl-2-phenethyloxy-phenyl)propyl]-4-pyridin-2-yl-piperazine; ethanedioic acid Openeye Name: 1-[3-(5-chloro-2-phenethyloxy-phenyl)propyl]-4-(2-pyridyl)piperazine; oxalic acid CAS Name: 1-[3-(5-chloro-2-phenethyloxyphenyl)propyl]-4-(2-pyridinyl)piperazine; oxalic acid IUPAC Name: 1-[3-(5-chloro-2-phenethyloxyphenyl)propyl]-4-pyridin-2-ylpiperazine; oxalic acid Traditional Name: 1-[3-(5-chloro-2-phenethyloxy-phenyl)propyl]-4-(2-pyridyl)piperazine; oxalic acid Formula: C28H32ClN3O5 MolecularWeight: 526.02378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30ClN3O.C2H2O4/c27-24-11-12-25(31-20-13-22-7-2-1-3-8-22)23(21-24)9-6-15-29-16-18-30(19-17-29)26-10-4-5-14-28-26;3-1(4)2(5)6/h1-5,7-8,10-12,14,21H,6,9,13,15-20H2;(H,3,4)(H,5,6)