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T5M

Summary
Name:2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL
Formula:C19 H21 N O2
Formal charge:0
Formula weight:295.376 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
OpenEye OEToolkits1.6.1(3-tert-butyl-4-hydroxy-phenyl)-(1,3-dihydroisoindol-2-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccc(O)c(c1)C(C)(C)C)N3Cc2ccccc2C3
SMILES_CANONICALCACTVS3.352CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2
SMILESCACTVS3.352CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2
SMILESOpenEye OEToolkits1.6.1CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2
InChIInChI1.03InChI=1S/C19H21NO2/c1-19(2,3)16-10-13(8-9-17(16)21)18(22)20-11-14-6-4-5-7-15(14)12-20/h4-10,21H,11-12H2,1-3H3
InChIKeyInChI1.03AGHRSYDXIACWAH-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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