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

Systemtic Name: ethanedioic acid; 1-(naphthalen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(1-naphthylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1-naphthalenylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-naphthylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazine; oxalic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N2O3.C2H2O4/c1-28-23-12-11-21(24(29-2)25(23)30-3)18-27-15-13-26(14-16-27)17-20-9-6-8-19-7-4-5-10-22(19)20;3-1(4)2(5)6/h4-12H,13-18H2,1-3H3;(H,3,4)(H,5,6)