E8L

?

Summary

Name:6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:C20 H26 N2 O4
Formal charge:0
Molecular weight:358.431 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
InChIKeyInChI1.03VVNCNFPVMMKHFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O
SMILESCACTVS3.385CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O
SMILESOpenEye OEToolkits2.0.7CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O
171916
PDB entries from 2020-12-02