[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate CAS Name: (3R)-3-(3,5-dimethyl-1-pyrazolyl)butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate Traditional Name: (3R)-3-(3,5-dimethylpyrazol-1-yl)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)CC(=O)OCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=NN1[C@H](C)CC(=O)OCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H19BrN2O3/c1-11-8-12(2)20(19-11)13(3)9-17(22)23-10-16(21)14-4-6-15(18)7-5-14/h4-8,13H,9-10H2,1-3H3/t13-/m1/s1