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

Systemtic Name: 1-[4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]butyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[4-(4-tert-amyl-2-chloro-phenoxy)butyl]-4-ethyl-piperazine; oxalic acid Formula: C23H37ClN2O5 MolecularWeight: 457.00328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)CC)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)CC)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H35ClN2O.C2H2O4/c1-5-21(3,4)18-9-10-20(19(22)17-18)25-16-8-7-11-24-14-12-23(6-2)13-15-24;3-1(4)2(5)6/h9-10,17H,5-8,11-16H2,1-4H3;(H,3,4)(H,5,6)