1-[3-[4-chloranyl-2-(phenylmethyl)phenoxy]propyl]-4-ethyl-piperazine; ethanedioic acid

Systemtic Name: 1-[3-[4-chloranyl-2-(phenylmethyl)phenoxy]propyl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(2-benzyl-4-chloro-phenoxy)propyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[3-[4-chloro-2-(phenylmethyl)phenoxy]propyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[3-(2-benzyl-4-chlorophenoxy)propyl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[3-(2-benzyl-4-chloro-phenoxy)propyl]-4-ethyl-piperazine; oxalic acid Formula: C24H31ClN2O5 MolecularWeight: 462.96634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29ClN2O.C2H2O4/c1-2-24-12-14-25(15-13-24)11-6-16-26-22-10-9-21(23)18-20(22)17-19-7-4-3-5-8-19;3-1(4)2(5)6/h3-5,7-10,18H,2,6,11-17H2,1H3;(H,3,4)(H,5,6)