(4-cyanophenyl)methyl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid (4-cyanobenzyl) ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O2/c1-16-21(17(2)25(24-16)20-6-4-3-5-7-20)12-13-22(26)27-15-19-10-8-18(14-23)9-11-19/h3-11H,12-13,15H2,1-2H3