2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(pyrrolidin-1-ylmethyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(pyrrolidin-1-ylmethyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(pyrrolidin-1-ylmethyl)amino]pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[propyl(1-pyrrolidinylmethyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[propyl(pyrrolidin-1-ylmethyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[propyl(pyrrolidinomethyl)amino]nicotinic acid Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CN1CCCC1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

Isomeric SMILES

CCCN(CN1CCCC1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

InChI

InChI=1S/C23H30ClN3O3/c1-5-8-27(14-26-9-6-7-10-26)19-13-17(4)25-22(20(19)23(28)29)30-21-15(2)11-18(24)12-16(21)3/h11-13H,5-10,14H2,1-4H3,(H,28,29)