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

Systemtic Name: (4-hexoxyphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-hexoxyphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-hexoxyphenyl) ester Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C18H20BrNO3/c1-2-3-4-5-10-22-16-6-8-17(9-7-16)23-18(21)14-11-15(19)13-20-12-14/h6-9,11-13H,2-5,10H2,1H3