Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

QZZ

Summary
Name:4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid
Formula:C20 H14 N2 O4
Formal charge:0
Formula weight:346.336 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1,2-dihydropyridin-4-yl]benzoic acid
OpenEye OEToolkits1.7.64-[3-cyano-6-(3-methoxyphenyl)-2-oxidanylidene-1H-pyridin-4-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#CC2=C(C=C(c1cccc(OC)c1)NC2=O)c3ccc(C(=O)O)cc3
InChIInChI1.03InChI=1S/C20H14N2O4/c1-26-15-4-2-3-14(9-15)18-10-16(17(11-21)19(23)22-18)12-5-7-13(8-6-12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyInChI1.03DYVOFZNYRIDQOP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)C2=CC(=C(C#N)C(=O)N2)c3ccc(cc3)C(O)=O
SMILESCACTVS3.385COc1cccc(c1)C2=CC(=C(C#N)C(=O)N2)c3ccc(cc3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O
SMILESOpenEye OEToolkits1.7.6COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O

251422

PDB entries from 2026-04-01

PDB statisticsPDBj update infoContact PDBjnumon