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

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3/c1-10-7-11(2)17(13(4)21)12(3)15(10)9-23-18(22)14-5-6-16(19)20-8-14/h5-8H,9H2,1-4H3