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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(propylaminomethyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(propylaminomethyl)amino]pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[propyl(propylaminomethyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[propyl(propylaminomethyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(propylaminomethyl)amino]nicotinic acid Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3/c1-6-8-24-13-26(9-7-2)18-12-16(5)25-21(19(18)22(27)28)29-20-14(3)10-17(23)11-15(20)4/h10-12,24H,6-9,13H2,1-5H3,(H,27,28)