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

Systemtic Name: 1-[4-[4-chloranyl-2-(phenylmethyl)phenoxy]butyl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[4-(2-benzyl-4-chloro-phenoxy)butyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[4-[4-chloro-2-(phenylmethyl)phenoxy]butyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[4-(2-benzyl-4-chlorophenoxy)butyl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[4-(2-benzyl-4-chloro-phenoxy)butyl]-4-ethyl-piperazine; oxalic acid Formula: C25H33ClN2O5 MolecularWeight: 476.99292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31ClN2O.C2H2O4/c1-2-25-13-15-26(16-14-25)12-6-7-17-27-23-11-10-22(24)19-21(23)18-20-8-4-3-5-9-20;3-1(4)2(5)6/h3-5,8-11,19H,2,6-7,12-18H2,1H3;(H,3,4)(H,5,6)