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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-2-19(27-17-11-7-4-8-12-17)21(25)26-15-20(24)23-14-13-18(22-23)16-9-5-3-6-10-16/h3-12,19H,2,13-15H2,1H3/t19-/m1/s1