(4-cyanophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (4-cyanobenzyl) ester Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2/c21-12-16-6-8-17(9-7-16)15-25-20(24)11-10-18-13-22-23(14-18)19-4-2-1-3-5-19/h1-9,13-14H,10-11,15H2