2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-6-methyl-4-pentan-3-yloxy-pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-6-methyl-4-pentan-3-yloxy-pyridine-3-carboxylic acid Openeye Name: 2-(4-bromo-2,6-dimethyl-anilino)-4-(1-ethylpropoxy)-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-bromo-2,6-dimethylanilino)-6-methyl-4-pentan-3-yloxy-3-pyridinecarboxylic acid IUPAC Name: 2-(4-bromo-2,6-dimethylanilino)-6-methyl-4-pentan-3-yloxypyridine-3-carboxylic acid Traditional Name: 2-(4-bromo-2,6-dimethyl-anilino)-4-(1-ethylpropoxy)-6-methyl-nicotinic acid Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC(=NC(=C1C(=O)O)NC2=C(C=C(C=C2C)Br)C)C

Isomeric SMILES

CCC(CC)OC1=CC(=NC(=C1C(=O)O)NC2=C(C=C(C=C2C)Br)C)C

InChI

InChI=1S/C20H25BrN2O3/c1-6-15(7-2)26-16-10-13(5)22-19(17(16)20(24)25)23-18-11(3)8-14(21)9-12(18)4/h8-10,15H,6-7H2,1-5H3,(H,22,23)(H,24,25)