(4R,6aR,9aS,9bR)-4-[(E)-4-(2-chloranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-2-oxidanyl-5-(phenoxymethyl)-8-[1-(phenylmethyl)piperidin-4-yl]-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(2-chloranyl-4-oxidanyl-phenyl)-3-methyl-but-3-enyl]-2-oxidanyl-5-(phenoxymethyl)-8-[1-(phenylmethyl)piperidin-4-yl]-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-8-(1-benzyl-4-piperidyl)-4-[(E)-4-(2-chloro-4-hydroxy-phenyl)-3-methyl-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)-4-[(E)-4-(2-chloro-4-hydroxyphenyl)-3-methylbut-3-enyl]-2-hydroxy-5-(phenoxymethyl)-8-[1-(phenylmethyl)-4-piperidinyl]-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-(1-benzylpiperidin-4-yl)-4-[(E)-4-(2-chloro-4-hydroxyphenyl)-3-methylbut-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-(1-benzyl-4-piperidyl)-4-[(E)-4-(2-chloro-4-hydroxy-phenyl)-3-methyl-but-3-enyl]-2-hydroxy-5-(phenoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C40H44BClN2O6 MolecularWeight: 695.05116

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=C(C=C(C=C4)O)Cl)C)COC5=CC=CC=C5)C(=O)N(C3=O)C6CCN(CC6)CC7=CC=CC=C7)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)/C)COC5=CC=CC=C5)C(=O)N(C3=O)C6CCN(CC6)CC7=CC=CC=C7)O

InChI

InChI=1S/C40H44BClN2O6/c1-26(20-28-13-14-31(45)22-35(28)42)12-15-36-37-29(25-49-32-10-6-3-7-11-32)21-33-38(34(37)23-41(48)50-36)40(47)44(39(33)46)30-16-18-43(19-17-30)24-27-8-4-2-5-9-27/h2-11,13-14,20,22,30,33-34,36,38,45,48H,12,15-19,21,23-25H2,1H3/b26-20+/t33-,34+,36-,38-/m1/s1