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SummaryGeometryRelated PDB entries

0Q1

Summary
Name:(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol
Formula:C20 H19 N O2
Formal charge:0
Formula weight:305.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol
OpenEye OEToolkits1.7.6(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydroinden-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n4oc(c(c1cc2c(cc1)CCC2(O)c3ccccc3)c4C)C
InChIInChI1.03InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyInChI1.03SEOJJNHYXOQNOZ-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.370Cc1onc(C)c1c2ccc3CC[C@@](O)(c4ccccc4)c3c2
SMILESCACTVS3.370Cc1onc(C)c1c2ccc3CC[C](O)(c4ccccc4)c3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O
SMILESOpenEye OEToolkits1.7.6Cc1c(c(on1)C)c2ccc3c(c2)C(CC3)(c4ccccc4)O

218500

PDB entries from 2024-04-17

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