ethanedioic acid; methyl 4-[[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]benzoate; oxalic acid CAS Name: 4-[[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-methylamino]methyl]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-methylamino]methyl]benzoate; oxalic acid Traditional Name: 4-[[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]benzoic acid methyl ester; oxalic acid Formula: C26H35NO8 MolecularWeight: 489.558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN(C)CC2=CC=C(C=C2)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN(C)CC2=CC=C(C=C2)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33NO4.C2H2O4/c1-17-13-20(24(2,3)4)11-12-22(17)29-16-21(26)15-25(5)14-18-7-9-19(10-8-18)23(27)28-6;3-1(4)2(5)6/h7-13,21,26H,14-16H2,1-6H3;(H,3,4)(H,5,6)