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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-phenylbutanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic 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] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-16(17-8-4-2-5-9-17)14-21(25)26-15-20(24)23-13-12-19(22-23)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3