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

Systemtic Name: (4-heptoxyphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-heptoxyphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-heptoxyphenyl) ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C19H22BrNO3/c1-2-3-4-5-6-11-23-17-7-9-18(10-8-17)24-19(22)15-12-16(20)14-21-13-15/h7-10,12-14H,2-6,11H2,1H3