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

Systemtic Name: ethanedioic acid; 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O.C2H2O4/c1-17-6-5-9-19(14-17)16-21-10-12-22(13-11-21)20(23)15-18-7-3-2-4-8-18;3-1(4)2(5)6/h2-9,14H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)