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

Systemtic Name: 4-[butylaminomethyl(propyl)amino]-2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-pyridine-3-carboxylic acid Openeye Name: 4-[butylaminomethyl(propyl)amino]-2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-pyridine-3-carboxylic acid CAS Name: 4-[butylaminomethyl(propyl)amino]-2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 4-[butylaminomethyl(propyl)amino]-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylic acid Traditional Name: 4-[butylaminomethyl(propyl)amino]-2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-nicotinic acid Formula: C23H32ClN3O3 MolecularWeight: 433.97148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN3O3/c1-6-8-9-25-14-27(10-7-2)19-13-17(5)26-22(20(19)23(28)29)30-21-15(3)11-18(24)12-16(21)4/h11-13,25H,6-10,14H2,1-5H3,(H,28,29)