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

Systemtic Name: ethanedioic acid; 1-phenyl-4-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine Openeye Name: oxalic acid; 1-phenyl-4-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidyl]piperazine CAS Name: oxalic acid; 1-phenyl-4-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidinyl]piperazine IUPAC Name: oxalic acid; 1-phenyl-4-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine Traditional Name: oxalic acid; 1-phenyl-4-[1-(2,3,4-trimethoxybenzyl)-4-piperidyl]piperazine Formula: C27H37N3O7 MolecularWeight: 515.59858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H35N3O3.C2H2O4/c1-29-23-10-9-20(24(30-2)25(23)31-3)19-26-13-11-22(12-14-26)28-17-15-27(16-18-28)21-7-5-4-6-8-21;3-1(4)2(5)6/h4-10,22H,11-19H2,1-3H3;(H,3,4)(H,5,6)