methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]pentyl]-2-oxidanyl-7,9-bis(oxidanylidene)-5-propan-2-yl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate

Systemtic Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]pentyl]-2-oxidanyl-7,9-bis(oxidanylidene)-5-propan-2-yl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate Openeye Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxy-phenyl)methylene]pentyl]-2-hydroxy-5-isopropyl-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate CAS Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-7,9-dioxo-5-propan-2-yl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-8-carboxylic acid methyl ester IUPAC Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-7,9-dioxo-5-propan-2-yl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate Traditional Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(2-chloro-4-hydroxy-phenyl)-3-ethyl-but-3-enyl]-2-hydroxy-5-isopropyl-7,9-diketo-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-8-carboxylic acid methyl ester Formula: C27H33BClNO7 MolecularWeight: 529.81742

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33BClNO7/c1-5-15(10-16-7-8-17(31)11-21(16)29)6-9-22-23-18(14(2)3)12-19-24(20(23)13-28(35)37-22)26(33)30(25(19)32)27(34)36-4/h7-8,10-11,14,19-20,22,24,31,35H,5-6,9,12-13H2,1-4H3/b15-10+/t19-,20+,22-,24-/m1/s1