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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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