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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[dimethylaminomethyl(propyl)amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[dimethylaminomethyl(propyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[dimethylaminomethyl(propyl)amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[dimethylaminomethyl(propyl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[dimethylaminomethyl(propyl)amino]-6-methyl-nicotinic acid Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O3/c1-7-8-25(12-24(5)6)17-11-15(4)23-20(18(17)21(26)27)28-19-13(2)9-16(22)10-14(19)3/h9-11H,7-8,12H2,1-6H3,(H,26,27)