(4R,6aR,9aS,9bR)-5-ethyl-2-oxidanyl-4-[(3E,4E)-4-(4-oxidanylidenenaphthalen-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-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)-5-ethyl-2-oxidanyl-4-[(3E,4E)-4-(4-oxidanylidenenaphthalen-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-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)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-oxo-1-naphthylidene)-3-(1H-pyridin-2-ylidene)butyl]-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-oxo-1-naphthalenylidene)-3-(1H-pyridin-2-ylidene)butyl]-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-oxonaphthalen-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-(4-anilinophenyl)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-keto-1-naphthylidene)-3-(1H-pyridin-2-ylidene)butyl]-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C43H40BN3O5 MolecularWeight: 689.6058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=C4C=CC=CN4)C=C5C=CC(=O)C6=CC=CC=C56)CC)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\4/C=CC=CN4)/C=C/5\C=CC(=O)C6=CC=CC=C56)CC)C(=O)N(C3=O)C7=CC=C(C=C7)NC8=CC=CC=C8)O

InChI

InChI=1S/C43H40BN3O5/c1-2-27-25-35-41(43(50)47(42(35)49)32-19-17-31(18-20-32)46-30-10-4-3-5-11-30)36-26-44(51)52-39(40(27)36)22-16-29(37-14-8-9-23-45-37)24-28-15-21-38(48)34-13-7-6-12-33(28)34/h3-15,17-21,23-24,35-36,39,41,45-46,51H,2,16,22,25-26H2,1H3/b28-24+,37-29+/t35-,36+,39-,41-/m1/s1