[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic 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] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-15(28-18-9-7-16(13-22)8-10-18)21(26)27-14-20(25)24-12-11-19(23-24)17-5-3-2-4-6-17/h2-10,15H,11-12,14H2,1H3/t15-/m0/s1