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

Systemtic Name: 1-[3-(5-chloranyl-2-phenethyloxy-phenyl)propyl]-4-(2-methoxyphenyl)piperazine; ethanedioic acid Openeye Name: 1-[3-(5-chloro-2-phenethyloxy-phenyl)propyl]-4-(2-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-[3-(5-chloro-2-phenethyloxyphenyl)propyl]-4-(2-methoxyphenyl)piperazine; oxalic acid IUPAC Name: 1-[3-(5-chloro-2-phenethyloxyphenyl)propyl]-4-(2-methoxyphenyl)piperazine; oxalic acid Traditional Name: 1-[3-(5-chloro-2-phenethyloxy-phenyl)propyl]-4-(2-methoxyphenyl)piperazine; oxalic acid Formula: C30H35ClN2O6 MolecularWeight: 555.0617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC3=C(C=CC(=C3)Cl)OCCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC3=C(C=CC(=C3)Cl)OCCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H33ClN2O2.C2H2O4/c1-32-28-12-6-5-11-26(28)31-19-17-30(18-20-31)16-7-10-24-22-25(29)13-14-27(24)33-21-15-23-8-3-2-4-9-23;3-1(4)2(5)6/h2-6,8-9,11-14,22H,7,10,15-21H2,1H3;(H,3,4)(H,5,6)