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

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-m-anisylpiperazino)-(3-methoxyphenyl)methanone; oxalic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3.C2H2O4/c1-24-18-7-3-5-16(13-18)15-21-9-11-22(12-10-21)20(23)17-6-4-8-19(14-17)25-2;3-1(4)2(5)6/h3-8,13-14H,9-12,15H2,1-2H3;(H,3,4)(H,5,6)