(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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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)N3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CN=C(C=C2)N3C(=CC(=N3)C)C)C

InChI

InChI=1S/C23H25N3O3/c1-13-9-14(2)22(18(6)27)17(5)20(13)12-29-23(28)19-7-8-21(24-11-19)26-16(4)10-15(3)25-26/h7-11H,12H2,1-6H3