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

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl pyridine-4-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=NC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=NC=C2)C

InChI

InChI=1S/C18H19NO3/c1-11-9-12(2)17(14(4)20)13(3)16(11)10-22-18(21)15-5-7-19-8-6-15/h5-9H,10H2,1-4H3