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

Systemtic Name: ethanedioic acid; 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(o-tolylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(2-methylbenzyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O.C2H2O4/c1-21-10-8-9-15-24(21)20-27-16-18-28(19-17-27)26(29)25(22-11-4-2-5-12-22)23-13-6-3-7-14-23;3-1(4)2(5)6/h2-15,25H,16-20H2,1H3;(H,3,4)(H,5,6)