N-(5-iodanyl-3-methoxycarbonyl-8-methyl-quinolin-6-yl)-methyl-boronamidic acid

Systemtic Name: N-(5-iodanyl-3-methoxycarbonyl-8-methyl-quinolin-6-yl)-methyl-boronamidic acid Openeye Name: N-(5-iodo-3-methoxycarbonyl-8-methyl-6-quinolyl)-methyl-boronamidic acid CAS Name: N-(5-iodo-3-methoxycarbonyl-8-methyl-6-quinolinyl)-methylboronamidic acid IUPAC Name: N-(5-iodo-3-methoxycarbonyl-8-methylquinolin-6-yl)-methylboronamidic acid Traditional Name: N-(3-carbomethoxy-5-iodo-8-methyl-6-quinolyl)-methyl-boronamidic acid Formula: C13H14BIN2O3 MolecularWeight: 383.97733

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC1=C(C2=CC(=CN=C2C(=C1)C)C(=O)OC)I)O

Isomeric SMILES

B(C)(NC1=C(C2=CC(=CN=C2C(=C1)C)C(=O)OC)I)O

InChI

InChI=1S/C13H14BIN2O3/c1-7-4-10(17-14(2)19)11(15)9-5-8(13(18)20-3)6-16-12(7)9/h4-6,17,19H,1-3H3