1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-3-ol; ethanedioic acid

Systemtic Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-3-ol; ethanedioic acid Openeye Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperidin-3-ol; oxalic acid CAS Name: 1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-3-piperidinol; oxalic acid IUPAC Name: 1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperidin-3-ol; oxalic acid Traditional Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperidin-3-ol; oxalic acid Formula: C21H33NO7 MolecularWeight: 411.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCCC(C2)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCCC(C2)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31NO3.C2H2O4/c1-14-10-15(19(2,3)4)7-8-18(14)23-13-17(22)12-20-9-5-6-16(21)11-20;3-1(4)2(5)6/h7-8,10,16-17,21-22H,5-6,9,11-13H2,1-4H3;(H,3,4)(H,5,6)