[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylpropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(1S)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C20H18N2O3/c1-15(19(23)17-6-3-2-4-7-17)25-20(24)18-10-8-16(9-11-18)14-22-13-5-12-21-22/h2-13,15H,14H2,1H3/t15-/m0/s1