[2-oxidanylidene-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] 4-tert-butylbenzoate Openeye Name: [2-oxo-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-2-(3-phenyl-3-pyrazolin-1-yl)ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CC=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-22(2,3)18-11-9-17(10-12-18)21(26)27-15-20(25)24-14-13-19(23-24)16-7-5-4-6-8-16/h4-13,23H,14-15H2,1-3H3