(4R,6aR,9aS,9bR)-5-ethyl-2-oxidanyl-4-[(3E,4E)-4-(4-oxidanylidenenaphthalen-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-8-phenyl-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-phenyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-oxo-1-naphthylidene)-3-(1H-pyridin-2-ylidene)butyl]-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-oxo-1-naphthalenylidene)-3-(1H-pyridin-2-ylidene)butyl]-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-oxonaphthalen-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-5-ethyl-2-hydroxy-4-[(3E,4E)-4-(4-keto-1-naphthylidene)-3-(1H-pyridin-2-ylidene)butyl]-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C37H35BN2O5 MolecularWeight: 598.4952

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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=CC=C7)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=CC=C7)O

InChI

InChI=1S/C37H35BN2O5/c1-2-23-21-29-35(37(43)40(36(29)42)26-10-4-3-5-11-26)30-22-38(44)45-33(34(23)30)18-16-25(31-14-8-9-19-39-31)20-24-15-17-32(41)28-13-7-6-12-27(24)28/h3-15,17,19-20,29-30,33,35,39,44H,2,16,18,21-22H2,1H3/b24-20+,31-25+/t29-,30+,33-,35-/m1/s1