methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-7,9-bis(oxidanylidene)-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate

Systemtic Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-7,9-bis(oxidanylidene)-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate Openeye Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-7,9-dioxo-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate CAS Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-7,9-dioxo-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-8-carboxylic acid methyl ester IUPAC Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-7,9-dioxo-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate Traditional Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-7,9-diketo-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-8-carboxylic acid methyl ester Formula: C32H35BFNO8 MolecularWeight: 591.431603

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)CCC)COC5=CC=CC=C5)C(=O)N(C3=O)C(=O)OC)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=CC(=C(C=C4)O)F)/CCC)COC5=CC=CC=C5)C(=O)N(C3=O)C(=O)OC)O

InChI

InChI=1S/C32H35BFNO8/c1-3-7-19(14-20-10-12-26(36)25(34)15-20)11-13-27-28-21(18-42-22-8-5-4-6-9-22)16-23-29(24(28)17-33(40)43-27)31(38)35(30(23)37)32(39)41-2/h4-6,8-10,12,14-15,23-24,27,29,36,40H,3,7,11,13,16-18H2,1-2H3/b19-14+/t23-,24+,27-,29-/m1/s1