LUR
Summary
Name: | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid |
Synonyms: | Lumiracoxib |
Formula: | C15 H13 Cl F N O2 |
Formal charge: | 0 |
Formula weight: | 293.721 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid |
OpenEye OEToolkits | 1.7.6 | 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-methyl-phenyl]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C |
InChI | InChI | 1.03 | InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) |
InChIKey | InChI | 1.03 | KHPKQFYUPIUARC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 |
SMILES | CACTVS | 3.370 | Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F |