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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-iodanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-iodopropyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[hydroxymethyl(3-iodopropyl)amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[hydroxymethyl(3-iodopropyl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[3-iodopropyl(methylol)amino]-6-methyl-nicotinic acid Formula: C19H22ClIN2O4 MolecularWeight: 504.74645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)N(CCCI)CO)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)N(CCCI)CO)C(=O)O)C)Cl

InChI

InChI=1S/C19H22ClIN2O4/c1-11-7-14(20)8-12(2)17(11)27-18-16(19(25)26)15(9-13(3)22-18)23(10-24)6-4-5-21/h7-9,24H,4-6,10H2,1-3H3,(H,25,26)