[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid (2-keto-2-mesityl-ethyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O3/c1-15-9-16(2)22(17(3)10-15)20(25)14-27-21(26)11-18-12-23-24(13-18)19-7-5-4-6-8-19/h4-10,12-13H,11,14H2,1-3H3