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

Systemtic Name: 1-[2-(5-chloranyl-2-phenethyloxy-phenyl)ethyl]-4-pyridin-2-yl-piperazine; ethanedioic acid Openeye Name: 1-[2-(5-chloro-2-phenethyloxy-phenyl)ethyl]-4-(2-pyridyl)piperazine; oxalic acid CAS Name: 1-[2-(5-chloro-2-phenethyloxyphenyl)ethyl]-4-(2-pyridinyl)piperazine; oxalic acid IUPAC Name: 1-[2-(5-chloro-2-phenethyloxyphenyl)ethyl]-4-pyridin-2-ylpiperazine; oxalic acid Traditional Name: 1-[2-(5-chloro-2-phenethyloxy-phenyl)ethyl]-4-(2-pyridyl)piperazine; oxalic acid Formula: C27H30ClN3O5 MolecularWeight: 511.9972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28ClN3O.C2H2O4/c26-23-9-10-24(30-19-12-21-6-2-1-3-7-21)22(20-23)11-14-28-15-17-29(18-16-28)25-8-4-5-13-27-25;3-1(4)2(5)6/h1-10,13,20H,11-12,14-19H2;(H,3,4)(H,5,6)