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UJY

Summary
Name:[2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
Formula:C45 H37 N2 O4 P
Formal charge:0
Formula weight:700.76 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
OpenEye OEToolkits2.0.7isoindol-2-yl-[4-oxidanyl-3-[5-[3-(triphenyl-$l^{5}-phosphanyl)propoxy]isoindol-2-yl]carbonyl-phenyl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(ccc1O)C(n3cc2c(cccc2)c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6ccccc6)(c7ccccc7)c8ccccc8
InChIInChI1.03InChI=1S/C45H37N2O4P/c48-43-24-22-33(44(49)46-29-34-13-10-11-14-35(34)30-46)28-42(43)45(50)47-31-36-21-23-38(27-37(36)32-47)51-25-12-26-52(39-15-4-1-5-16-39,40-17-6-2-7-18-40)41-19-8-3-9-20-41/h1-11,13-24,27-32,48,52H,12,25-26H2
InChIKeyInChI1.03LKRQAENWLOVTOO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccccc8c7
SMILESCACTVS3.385Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccccc8c7
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(=O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7ccccc7)c8ccccc8
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(=O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7ccccc7)c8ccccc8

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數據於2024-07-10公開中

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