Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

TL8

Summary
Name:2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:C17 H14 N2 O2
Formal charge:0
Formula weight:278.305 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H14N2O2/c1-21-16-11-15(8-7-14(16)12-20)19-10-9-18-17(19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyInChI1.03QSSROHHADMESKH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(ccc1C=O)n2ccnc2c3ccccc3
SMILESCACTVS3.385COc1cc(ccc1C=O)n2ccnc2c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(ccc1C=O)n2ccnc2c3ccccc3
SMILESOpenEye OEToolkits2.0.7COc1cc(ccc1C=O)n2ccnc2c3ccccc3

223790

數據於2024-08-14公開中

PDB statisticsPDBj update infoContact PDBjnumon