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

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 2,2-diphenyl-1-(4-veratrylpiperazino)ethanone; oxalic acid Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2O3.C2H2O4/c1-31-24-14-13-21(19-25(24)32-2)20-28-15-17-29(18-16-28)27(30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23;3-1(4)2(5)6/h3-14,19,26H,15-18,20H2,1-2H3;(H,3,4)(H,5,6)