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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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