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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[methylcarbamoyl(propyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[methylcarbamoyl(propyl)amino]pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[methylcarbamoyl(propyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[methylcarbamoyl(propyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[methylcarbamoyl(propyl)amino]nicotinic acid Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-6-7-24(20(27)22-5)15-10-13(4)23-18(16(15)19(25)26)28-17-11(2)8-14(21)9-12(17)3/h8-10H,6-7H2,1-5H3,(H,22,27)(H,25,26)