[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C)C)C

InChI

InChI=1S/C22H22N2O3/c1-14-12-20(17(4)16(3)15(14)2)21(25)13-27-22(26)18-6-8-19(9-7-18)24-11-5-10-23-24/h5-12H,13H2,1-4H3