2-(4-bromanyl-2,6-dimethyl-phenoxy)-6-methyl-4-(1-oxidanylbutan-2-ylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-6-methyl-4-(1-oxidanylbutan-2-ylamino)pyridine-3-carboxylic acid Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-4-[1-(hydroxymethyl)propylamino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-4-(1-hydroxybutan-2-ylamino)-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-4-(1-hydroxybutan-2-ylamino)-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-6-methyl-4-(1-methylolpropylamino)nicotinic acid Formula: C19H23BrN2O4 MolecularWeight: 423.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2C)Br)C)C

Isomeric SMILES

CCC(CO)NC1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2C)Br)C)C

InChI

InChI=1S/C19H23BrN2O4/c1-5-14(9-23)22-15-8-12(4)21-18(16(15)19(24)25)26-17-10(2)6-13(20)7-11(17)3/h6-8,14,23H,5,9H2,1-4H3,(H,21,22)(H,24,25)