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XJG

Summary
Name:1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE
Formula:C19 H21 N O3
Formal charge:0
Formula weight:311.375 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-5-methoxy-4-(1-methylethyl)phenol
OpenEye OEToolkits1.6.11,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1cc(c(OC)cc1O)C(C)C)N3Cc2ccccc2C3
SMILES_CANONICALCACTVS3.352COc1cc(O)c(cc1C(C)C)C(=O)N2Cc3ccccc3C2
SMILESCACTVS3.352COc1cc(O)c(cc1C(C)C)C(=O)N2Cc3ccccc3C2
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2
SMILESOpenEye OEToolkits1.6.1CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2
InChIInChI1.03InChI=1S/C19H21NO3/c1-12(2)15-8-16(17(21)9-18(15)23-3)19(22)20-10-13-6-4-5-7-14(13)11-20/h4-9,12,21H,10-11H2,1-3H3
InChIKeyInChI1.03RFBYLLKEEZKILL-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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