1-(4-tert-butyl-2-methyl-phenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-[1-(4-pyridyl)ethylamino]propan-2-ol; oxalic acid CAS Name: 1-(4-tert-butyl-2-methylphenoxy)-3-(1-pyridin-4-ylethylamino)-2-propanol; oxalic acid IUPAC Name: 1-(4-tert-butyl-2-methylphenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-[1-(4-pyridyl)ethylamino]propan-2-ol; oxalic acid Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNC(C)C2=CC=NC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNC(C)C2=CC=NC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2O2.C2H2O4/c1-15-12-18(21(3,4)5)6-7-20(15)25-14-19(24)13-23-16(2)17-8-10-22-11-9-17;3-1(4)2(5)6/h6-12,16,19,23-24H,13-14H2,1-5H3;(H,3,4)(H,5,6)