N-[(E)-3-chloranylprop-2-enyl]-N-(5-iodanyl-3-methoxycarbonyl-8-methyl-quinolin-6-yl)-methyl-boronamidic acid

Systemtic Name: N-[(E)-3-chloranylprop-2-enyl]-N-(5-iodanyl-3-methoxycarbonyl-8-methyl-quinolin-6-yl)-methyl-boronamidic acid Openeye Name: N-[(E)-3-chloroallyl]-N-(5-iodo-3-methoxycarbonyl-8-methyl-6-quinolyl)-methyl-boronamidic acid CAS Name: N-[(E)-3-chloroprop-2-enyl]-N-(5-iodo-3-methoxycarbonyl-8-methyl-6-quinolinyl)-methylboronamidic acid IUPAC Name: N-[(E)-3-chloroprop-2-enyl]-N-(5-iodo-3-methoxycarbonyl-8-methylquinolin-6-yl)-methylboronamidic acid Traditional Name: N-(3-carbomethoxy-5-iodo-8-methyl-6-quinolyl)-N-[(E)-3-chloroallyl]-methyl-boronamidic acid Formula: C16H17BClIN2O3 MolecularWeight: 458.48625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

B(C)(N(C/C=C/Cl)C1=C(C2=CC(=CN=C2C(=C1)C)C(=O)OC)I)O

InChI

InChI=1S/C16H17BClIN2O3/c1-10-7-13(21(17(2)23)6-4-5-18)14(19)12-8-11(16(22)24-3)9-20-15(10)12/h4-5,7-9,23H,6H2,1-3H3/b5-4+