1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C23H28N2O9 MolecularWeight: 476.47642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O5.C2H2O4/c1-26-18-12-16(13-19(27-2)21(18)25)14-22-8-10-23(11-9-22)20(24)15-28-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-7,12-13,25H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)