2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[ethyl(2-oxidanylbutyl)amino]-5-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[ethyl(2-oxidanylbutyl)amino]-5-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[ethyl(2-hydroxybutyl)amino]-5-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[ethyl(2-hydroxybutyl)amino]-5-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[ethyl(2-hydroxybutyl)amino]-5-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[ethyl(2-hydroxybutyl)amino]-5-methyl-nicotinic acid Formula: C21H27ClN2O4 MolecularWeight: 406.90308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC)C1=C(C(=NC=C1C)OC2=C(C=C(C=C2C)Cl)C)C(=O)O)O

Isomeric SMILES

CCC(CN(CC)C1=C(C(=NC=C1C)OC2=C(C=C(C=C2C)Cl)C)C(=O)O)O

InChI

InChI=1S/C21H27ClN2O4/c1-6-16(25)11-24(7-2)18-14(5)10-23-20(17(18)21(26)27)28-19-12(3)8-15(22)9-13(19)4/h8-10,16,25H,6-7,11H2,1-5H3,(H,26,27)