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

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: oxalic acid; 2-phenyl-1-(4-veratrylpiperazino)ethanone Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-25-19-9-8-18(14-20(19)26-2)16-22-10-12-23(13-11-22)21(24)15-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,14H,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)