1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-(4-o-veratrylpiperazino)-2-phenoxy-ethanone; oxalic acid Formula: C23H28N2O8 MolecularWeight: 460.47702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O4.C2H2O4/c1-25-19-10-6-7-17(21(19)26-2)15-22-11-13-23(14-12-22)20(24)16-27-18-8-4-3-5-9-18;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)