ethanedioic acid; 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine CAS Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine IUPAC Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Traditional Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-(3,4,5-trimethoxybenzyl)piperazine Formula: C28H38N2O7 MolecularWeight: 514.61052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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