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

Systemtic Name: ethanedioic acid; 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-(4-m-anisylpiperazino)-2,2-diphenyl-ethanone; oxalic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O2.C2H2O4/c1-30-24-14-8-9-21(19-24)20-27-15-17-28(18-16-27)26(29)25(22-10-4-2-5-11-22)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-14,19,25H,15-18,20H2,1H3;(H,3,4)(H,5,6)