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

Systemtic Name: (4-heptoxycarbonylphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-heptoxycarbonylphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-[heptoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptoxycarbonylphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-heptoxycarbonylphenyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-2-3-4-5-6-11-25-19(23)15-7-9-18(10-8-15)26-20(24)16-12-17(21)14-22-13-16/h7-10,12-14H,2-6,11H2,1H3