N-[(6-iodanyl-3,4-dihydro-2H-chromen-2-yl)methyl]-methyl-N-(2-oxidanyl-3-phenoxy-propyl)boronamidic acid

Systemtic Name: N-[(6-iodanyl-3,4-dihydro-2H-chromen-2-yl)methyl]-methyl-N-(2-oxidanyl-3-phenoxy-propyl)boronamidic acid Openeye Name: N-(2-hydroxy-3-phenoxy-propyl)-N-[(6-iodochroman-2-yl)methyl]-methyl-boronamidic acid CAS Name: N-(2-hydroxy-3-phenoxypropyl)-N-[(6-iodo-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-methylboronamidic acid IUPAC Name: N-(2-hydroxy-3-phenoxypropyl)-N-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methyl]-methylboronamidic acid Traditional Name: N-(2-hydroxy-3-phenoxy-propyl)-N-[(6-iodochroman-2-yl)methyl]-methyl-boronamidic acid Formula: C20H25BINO4 MolecularWeight: 481.13227

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(CC1CCC2=C(O1)C=CC(=C2)I)CC(COC3=CC=CC=C3)O)O

Isomeric SMILES

B(C)(N(CC1CCC2=C(O1)C=CC(=C2)I)CC(COC3=CC=CC=C3)O)O

InChI

InChI=1S/C20H25BINO4/c1-21(25)23(12-17(24)14-26-18-5-3-2-4-6-18)13-19-9-7-15-11-16(22)8-10-20(15)27-19/h2-6,8,10-11,17,19,24-25H,7,9,12-14H2,1H3