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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[(2-methoxyethylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(2-methoxyethylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(2-methoxyethylamino)methyl-propylamino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(2-methoxyethylamino)methyl-propylamino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(2-methoxyethylamino)methyl-propyl-amino]-6-methyl-nicotinic acid Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O4/c1-6-8-26(13-24-7-9-29-5)18-12-16(4)25-21(19(18)22(27)28)30-20-14(2)10-17(23)11-15(20)3/h10-12,24H,6-9,13H2,1-5H3,(H,27,28)