(4R,6aR,9aS,9bR)-4-[(Z)-4-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-but-3-enyl]-2-oxidanyl-5-(phenoxymethyl)-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-[(Z)-4-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-but-3-enyl]-2-oxidanyl-5-(phenoxymethyl)-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-[(Z)-4-(5-bromo-2-hydroxy-phenyl)-3-phenyl-but-3-enyl]-2-hydroxy-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(Z)-4-(5-bromo-2-hydroxyphenyl)-3-phenylbut-3-enyl]-2-hydroxy-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(Z)-4-(5-bromo-2-hydroxyphenyl)-3-phenylbut-3-enyl]-2-hydroxy-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-4-[(Z)-4-(5-bromo-2-hydroxy-phenyl)-3-phenyl-but-3-enyl]-2-hydroxy-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C45H40BBrN2O6 MolecularWeight: 795.5239

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)COC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)NC8=CC=CC=C8)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=C(C=CC(=C4)Br)O)/C5=CC=CC=C5)COC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)NC8=CC=CC=C8)O

InChI

InChI=1S/C45H40BBrN2O6/c47-33-17-22-40(50)31(25-33)24-30(29-10-4-1-5-11-29)16-23-41-42-32(28-54-37-14-8-3-9-15-37)26-38-43(39(42)27-46(53)55-41)45(52)49(44(38)51)36-20-18-35(19-21-36)48-34-12-6-2-7-13-34/h1-15,17-22,24-25,38-39,41,43,48,50,53H,16,23,26-28H2/b30-24-/t38-,39+,41-,43-/m1/s1