ethanedioic acid; 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C28H31N3O8 MolecularWeight: 537.56104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N3O4.C2H2O4/c1-32-25-12-11-22(17-26(25)33-20-21-7-3-2-4-8-21)18-27-13-15-28(16-14-27)19-23-9-5-6-10-24(23)29(30)31;3-1(4)2(5)6/h2-12,17H,13-16,18-20H2,1H3;(H,3,4)(H,5,6)