(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]pentyl]-2-oxidanyl-8-(4-phenylazanylphenyl)-5-propan-2-yl-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]-2-oxidanyl-8-(4-phenylazanylphenyl)-5-propan-2-yl-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-isopropyl-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-propan-2-yl-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-propan-2-yl-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-isopropyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C37H40BFN2O5 MolecularWeight: 622.533303

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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)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)C)C(=O)N(C3=O)C5=CC=C(C=C5)NC6=CC=CC=C6)O

InChI

InChI=1S/C37H40BFN2O5/c1-4-23(18-24-10-16-32(42)31(39)19-24)11-17-33-34-28(22(2)3)20-29-35(30(34)21-38(45)46-33)37(44)41(36(29)43)27-14-12-26(13-15-27)40-25-8-6-5-7-9-25/h5-10,12-16,18-19,22,29-30,33,35,40,42,45H,4,11,17,20-21H2,1-3H3/b23-18+/t29-,30+,33-,35-/m1/s1