5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenol; ethanedioic acid

Systemtic Name: 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenol; ethanedioic acid Openeye Name: 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenol; oxalic acid CAS Name: 5-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-2-methoxyphenol; oxalic acid IUPAC Name: 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol; oxalic acid Traditional Name: 5-[[4-(4-chlorophenyl)piperazino]methyl]-2-methoxy-phenol; oxalic acid Formula: C20H23ClN2O6 MolecularWeight: 422.85942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21ClN2O2.C2H2O4/c1-23-18-7-2-14(12-17(18)22)13-20-8-10-21(11-9-20)16-5-3-15(19)4-6-16;3-1(4)2(5)6/h2-7,12,22H,8-11,13H2,1H3;(H,3,4)(H,5,6)