1-(4-tert-butyl-2-methyl-phenoxy)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-ol; ethanedioic acid Openeye Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-(4-tert-butyl-2-methylphenoxy)-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-propanol; oxalic acid IUPAC Name: 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-tert-butyl-2-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol; oxalic acid Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H38N2O2.C2H2O4/c1-20-16-22(26(2,3)4)10-11-25(20)30-19-24(29)17-27-23-12-14-28(15-13-23)18-21-8-6-5-7-9-21;3-1(4)2(5)6/h5-11,16,23-24,27,29H,12-15,17-19H2,1-4H3;(H,3,4)(H,5,6)