ethanedioic acid; (3-methoxyphenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-methoxyphenyl)-[4-(4-methylbenzyl)piperazino]methanone; oxalic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2.C2H2O4/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20(23)18-4-3-5-19(14-18)24-2;3-1(4)2(5)6/h3-9,14H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)