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

OZG

Summary
Name:[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
Formula:C17 H14 O5
Formal charge:0
Formula weight:298.29 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
OpenEye OEToolkits2.0.72-[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3
InChIInChI1.03InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeyInChI1.03UOSYUXUYPKFRGA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1
SMILESCACTVS3.385COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon