[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

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