(2S,5S)-5-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-1-[(2,4-dimethoxyphenyl)methyl]-4-iodanyl-2-methyl-2,5-dihydropyridin-6-one

Systemtic Name: (2S,5S)-5-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-1-[(2,4-dimethoxyphenyl)methyl]-4-iodanyl-2-methyl-2,5-dihydropyridin-6-one Openeye Name: (2S,5S)-5-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-1-[(2,4-dimethoxyphenyl)methyl]-4-iodo-2-methyl-2,5-dihydropyridin-6-one CAS Name: (2S,5S)-5-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-1-[(2,4-dimethoxyphenyl)methyl]-4-iodo-2-methyl-2,5-dihydropyridin-6-one IUPAC Name: (2S,5S)-5-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-1-[(2,4-dimethoxyphenyl)methyl]-4-iodo-2-methyl-2,5-dihydropyridin-6-one Traditional Name: (2S,5S)-5-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-1-(2,4-dimethoxybenzyl)-4-iodo-2-methyl-2,5-dihydropyridin-6-one Formula: C26H37BINO3 MolecularWeight: 549.29235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(C2CCCC1CCC2)CCCC3C(=CC(N(C3=O)CC4=C(C=C(C=C4)OC)OC)C)I

Isomeric SMILES

B1(C2CCCC1CCC2)CCC[C@@H]3C(=C[C@@H](N(C3=O)CC4=C(C=C(C=C4)OC)OC)C)I

InChI

InChI=1S/C26H37BINO3/c1-18-15-24(28)23(11-6-14-27-20-7-4-8-21(27)10-5-9-20)26(30)29(18)17-19-12-13-22(31-2)16-25(19)32-3/h12-13,15-16,18,20-21,23H,4-11,14,17H2,1-3H3/t18-,20?,21?,23+/m0/s1