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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CNCC1CC1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

Isomeric SMILES

CCCN(CNCC1CC1)C2=CC(=NC(=C2C(=O)O)OC3=C(C=C(C=C3C)Cl)C)C

InChI

InChI=1S/C23H30ClN3O3/c1-5-8-27(13-25-12-17-6-7-17)19-11-16(4)26-22(20(19)23(28)29)30-21-14(2)9-18(24)10-15(21)3/h9-11,17,25H,5-8,12-13H2,1-4H3,(H,28,29)