ethanedioic acid; 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol

Systemtic Name: ethanedioic acid; 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol Openeye Name: oxalic acid; 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol CAS Name: oxalic acid; 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)-1-piperazinyl]-2-butanol IUPAC Name: oxalic acid; 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol Traditional Name: oxalic acid; 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazino]butan-2-ol Formula: C25H34N2O9 MolecularWeight: 506.54546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)CCC(COC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)CCC(COC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O5.C2H2O4/c1-27-21-15-18(16-22(28-2)23(21)29-3)25-13-11-24(12-14-25)10-9-19(26)17-30-20-7-5-4-6-8-20;3-1(4)2(5)6/h4-8,15-16,19,26H,9-14,17H2,1-3H3;(H,3,4)(H,5,6)