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

Systemtic Name: (4-pentoxycarbonylphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-pentoxycarbonylphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-[oxo(pentoxy)methyl]phenyl] ester IUPAC Name: (4-pentoxycarbonylphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-amoxycarbonylphenyl) ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-2-3-4-9-23-17(21)13-5-7-16(8-6-13)24-18(22)14-10-15(19)12-20-11-14/h5-8,10-12H,2-4,9H2,1H3