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

Systemtic Name: ethanedioic acid; 1-(naphthalen-1-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(1-naphthylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1-naphthalenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-naphthylmethyl)-4-(3,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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