[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (2-keto-2-mesityl-ethyl) ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H24N2O3/c1-16-11-17(2)23(18(3)12-16)21(26)15-28-22(27)10-9-19-13-24-25(14-19)20-7-5-4-6-8-20/h4-8,11-14H,9-10,15H2,1-3H3