(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]pentyl]-5-methyl-2-oxidanyl-8-(4-phenylazanylphenyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]pentyl]-5-methyl-2-oxidanyl-8-(4-phenylazanylphenyl)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]pentyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(E)-3-ethyl-4-(3-fluoro-4-hydroxy-phenyl)but-3-enyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C35H36BFN2O5 MolecularWeight: 594.480143

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)CC)C)C(=O)N(C3=O)C5=CC=C(C=C5)NC6=CC=CC=C6)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)/CC)C)C(=O)N(C3=O)C5=CC=C(C=C5)NC6=CC=CC=C6)O

InChI

InChI=1S/C35H36BFN2O5/c1-3-22(18-23-9-15-30(40)29(37)19-23)10-16-31-32-21(2)17-27-33(28(32)20-36(43)44-31)35(42)39(34(27)41)26-13-11-25(12-14-26)38-24-7-5-4-6-8-24/h4-9,11-15,18-19,27-28,31,33,38,40,43H,3,10,16-17,20H2,1-2H3/b22-18+/t27-,28+,31-,33-/m1/s1