(4-cyano-2-fluoranyl-phenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (4-cyano-2-fluoro-benzyl) ester Formula: C20H16FN3O2 MolecularWeight: 349.358343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C20H16FN3O2/c21-19-10-15(11-22)6-8-17(19)14-26-20(25)9-7-16-12-23-24(13-16)18-4-2-1-3-5-18/h1-6,8,10,12-13H,7,9,14H2