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

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl pyrazine-2-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-10-7-11(2)16(13(4)20)12(3)14(10)9-22-17(21)15-8-18-5-6-19-15/h5-8H,9H2,1-4H3