2-[4-[3-(3-tert-butyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[3-(3-tert-butyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[3-(3-tert-butyl-4-hydroxy-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[3-(3-tert-butyl-4-hydroxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[3-(3-tert-butyl-4-hydroxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[3-(3-tert-butyl-4-hydroxy-phenoxy)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3C(=O)O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3C(=O)O)O)O

InChI

InChI=1S/C24H32N2O5/c1-24(2,3)20-14-18(8-9-22(20)28)31-16-17(27)15-25-10-12-26(13-11-25)21-7-5-4-6-19(21)23(29)30/h4-9,14,17,27-28H,10-13,15-16H2,1-3H3,(H,29,30)