ethanedioic acid; (2-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (2-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-methoxyphenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2-methoxyphenyl)-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (2-methoxyphenyl)-[4-(3-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O2.C2H2O4/c1-23-17-7-3-2-6-16(17)18(22)21-11-9-20(10-12-21)14-15-5-4-8-19-13-15;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)