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

1UW

Summary
Name:ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Formula:C18 H14 O4
Formal charge:0
Formula weight:294.301 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
OpenEye OEToolkits1.7.6ethyl 4-(4-oxidanylidenechromen-2-yl)benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChIInChI1.03InChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3
InChIKeyInChI1.03DNBRLXGCVKXLTH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILESCACTVS3.370CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILESOpenEye OEToolkits1.7.6CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2

224931

数据于2024-09-11公开中

PDB statisticsPDBj update infoContact PDBjnumon