(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC(=CN=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC(=CN=C2)Br)C

InChI

InChI=1S/C18H18BrNO3/c1-10-5-11(2)17(13(4)21)12(3)16(10)9-23-18(22)14-6-15(19)8-20-7-14/h5-8H,9H2,1-4H3