[(2S)-2-oxidanyl-3-[3-oxidanylidene-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propyl] benzoate

Systemtic Name: [(2S)-2-oxidanyl-3-[3-oxidanylidene-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propyl] benzoate Openeye Name: [(2S)-2-hydroxy-3-[3-oxo-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propyl] benzoate CAS Name: benzoic acid [(2S)-2-hydroxy-3-[3-oxo-2-(6-phenyl-3-pyridazinyl)-1H-pyrazol-4-yl]propyl] ester IUPAC Name: [(2S)-2-hydroxy-3-[3-oxo-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]propyl] benzoate Traditional Name: benzoic acid [(2S)-2-hydroxy-3-[5-keto-1-(6-phenylpyridazin-3-yl)-3-pyrazolin-4-yl]propyl] ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)N3C(=O)C(=CN3)CC(COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N3C(=O)C(=CN3)C[C@@H](COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H20N4O4/c28-19(15-31-23(30)17-9-5-2-6-10-17)13-18-14-24-27(22(18)29)21-12-11-20(25-26-21)16-7-3-1-4-8-16/h1-12,14,19,24,28H,13,15H2/t19-/m0/s1