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

Systemtic Name: (4-hexoxycarbonylphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-hexoxycarbonylphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-[hexoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-hexoxycarbonylphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-hexoxycarbonylphenyl) ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-2-3-4-5-10-24-18(22)14-6-8-17(9-7-14)25-19(23)15-11-16(20)13-21-12-15/h6-9,11-13H,2-5,10H2,1H3