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

Systemtic Name: (4-hexylphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-hexylphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-hexylphenyl) ester Formula: C18H20BrNO2 MolecularWeight: 362.2609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C18H20BrNO2/c1-2-3-4-5-6-14-7-9-17(10-8-14)22-18(21)15-11-16(19)13-20-12-15/h7-13H,2-6H2,1H3