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

Systemtic Name: ethanedioic acid; 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-(4-m-anisylpiperazino)-2-phenyl-ethanone; oxalic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2.C2H2O4/c1-24-19-9-5-8-18(14-19)16-21-10-12-22(13-11-21)20(23)15-17-6-3-2-4-7-17;3-1(4)2(5)6/h2-9,14H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)