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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4/c1-6-16(25)11-24(7-2)17-10-14(5)23-20(18(17)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)