[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethylbenzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-14-8-9-15(2)17(12-14)20(24)25-13-19(23)22-11-10-18(21-22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3