[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C21H20N2O3/c1-14-4-6-17(7-5-14)20(24)16(3)26-21(25)18-8-10-19(11-9-18)23-15(2)12-13-22-23/h4-13,16H,1-3H3/t16-/m0/s1