(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]hexyl]-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-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]hexyl]-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-[(2-chloro-4-hydroxy-phenyl)methylene]hexyl]-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-[(2-chloro-4-hydroxyphenyl)methylidene]hexyl]-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-[(2-chloro-4-hydroxyphenyl)methylidene]hexyl]-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)-4-(2-chloro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-5-methyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C36H38BClN2O5 MolecularWeight: 624.96132

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H38BClN2O5/c1-3-7-23(19-24-11-16-28(41)20-31(24)38)10-17-32-33-22(2)18-29-34(30(33)21-37(44)45-32)36(43)40(35(29)42)27-14-12-26(13-15-27)39-25-8-5-4-6-9-25/h4-6,8-9,11-16,19-20,29-30,32,34,39,41,44H,3,7,10,17-18,21H2,1-2H3/b23-19+/t29-,30+,32-,34-/m1/s1