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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

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