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

Systemtic Name: 1-[3-(5-chloranyl-2-phenethyloxy-phenyl)propyl]-4-phenyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(5-chloro-2-phenethyloxy-phenyl)propyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[3-(5-chloro-2-phenethyloxyphenyl)propyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[3-(5-chloro-2-phenethyloxyphenyl)propyl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[3-(5-chloro-2-phenethyloxy-phenyl)propyl]-4-phenyl-piperazine; oxalic acid Formula: C29H33ClN2O5 MolecularWeight: 525.03572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O.C2H2O4/c28-25-13-14-27(31-21-15-23-8-3-1-4-9-23)24(22-25)10-7-16-29-17-19-30(20-18-29)26-11-5-2-6-12-26;3-1(4)2(5)6/h1-6,8-9,11-14,22H,7,10,15-21H2;(H,3,4)(H,5,6)