(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-2-phenyl-propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-2-phenyl-propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2/c1-16-19(14-23)20(25(24-16)18-12-8-5-9-13-18)15-27-21(26)22(2,3)17-10-6-4-7-11-17/h4-13H,15H2,1-3H3