1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-[2-(2-pyridyl)ethyl]piperazino]propan-2-ol; oxalic acid Formula: C27H39N3O7 MolecularWeight: 517.61446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCN(CC2)CCC3=CC=CC=N3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCN(CC2)CCC3=CC=CC=N3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H37N3O3.C2H2O4/c1-25(2,3)23-17-22(30-4)8-9-24(23)31-19-21(29)18-28-15-13-27(14-16-28)12-10-20-7-5-6-11-26-20;3-1(4)2(5)6/h5-9,11,17,21,29H,10,12-16,18-19H2,1-4H3;(H,3,4)(H,5,6)