ethanedioic acid; 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C28H38N2O7 MolecularWeight: 514.61052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H36N2O3.C2H2O4/c1-29-24-14-11-22(25(30-2)26(24)31-3)19-27-15-17-28(18-16-27)23-12-9-21(10-13-23)20-7-5-4-6-8-20;3-1(4)2(5)6/h4-8,11,14,21,23H,9-10,12-13,15-19H2,1-3H3;(H,3,4)(H,5,6)