4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; butylboronic acid

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; butylboronic acid Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; butylboronic acid CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; butylboronic acid IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; butylboronic acid Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; butylboronic acid Formula: C17H32BNO5 MolecularWeight: 341.25068

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCC)(O)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O

Isomeric SMILES

B(CCCC)(O)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O

InChI

InChI=1S/C13H21NO3.C4H11BO2/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-2-3-4-5(6)7/h4-6,12,14-17H,7-8H2,1-3H3;6-7H,2-4H2,1H3