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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[(furan-2-ylmethylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(2-furylmethylamino)methyl-propyl-amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(2-furanylmethylamino)methyl-propylamino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(furan-2-ylmethylamino)methyl-propylamino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(2-furfurylamino)methyl-propyl-amino]-6-methyl-nicotinic acid Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CNCC1=CC=CO1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

Isomeric SMILES

CCCN(CNCC1=CC=CO1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

InChI

InChI=1S/C24H28ClN3O4/c1-5-8-28(14-26-13-19-7-6-9-31-19)20-12-17(4)27-23(21(20)24(29)30)32-22-15(2)10-18(25)11-16(22)3/h6-7,9-12,26H,5,8,13-14H2,1-4H3,(H,29,30)