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The molecular formula is C16H23BN2O4.
The molecular weight is 318.2 g/mol.
The IUPAC name is [5-[(dimethylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
The InChI is InChI=1S/C16H23BN2O4/c1-16(2,3)23-15(20)19-13-7-6-11(10-18(4)5)8-12(13)9-14(19)17(21)22/h6-9,21-22H,10H2,1-5H3.
The InChIKey is DDFZDMZDMLORBU-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CN(C)C)(O)O.
The CAS number is 913388-74-6.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 5.
Yes, the compound is canonicalized.
913388-71-3
913388-72-4
913388-73-5
913388-75-7
913388-76-8
913388-77-9
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