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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[dimethylcarbamoyl(propyl)amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[dimethylcarbamoyl(propyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[[dimethylamino(oxo)methyl]-propylamino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[dimethylcarbamoyl(propyl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[dimethylcarbamoyl(propyl)amino]-6-methyl-nicotinic acid Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4/c1-7-8-25(21(28)24(5)6)16-11-14(4)23-19(17(16)20(26)27)29-18-12(2)9-15(22)10-13(18)3/h9-11H,7-8H2,1-6H3,(H,26,27)