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Summary

Name:6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:C21 H28 N2 O3
Formal charge:0
Molecular weight:356.459 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
InChIKeyInChI1.03QNFFQLHRCGJHHN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c2ccc(cn2)C(O)=O
SMILESCACTVS3.385CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c2ccc(cn2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O
SMILESOpenEye OEToolkits2.0.7CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O
171916
PDB entries from 2020-12-02