ethanedioic acid; 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)-4-[1-(3-nitrobenzyl)-4-piperidyl]piperazine; oxalic acid Formula: C25H32N4O7 MolecularWeight: 500.54418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N4O3.C2H2O4/c1-30-23-8-3-2-7-22(23)26-15-13-25(14-16-26)20-9-11-24(12-10-20)18-19-5-4-6-21(17-19)27(28)29;3-1(4)2(5)6/h2-8,17,20H,9-16,18H2,1H3;(H,3,4)(H,5,6)