(4-butoxyphenyl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (4-butoxyphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-butoxyphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-butoxyphenyl) ester Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H16BrNO3/c1-2-3-8-20-14-4-6-15(7-5-14)21-16(19)12-9-13(17)11-18-10-12/h4-7,9-11H,2-3,8H2,1H3