(3-fluoranyl-4-methoxy-phenyl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C25H21FN2O3/c1-17-8-11-19(12-9-17)24-21(15-28(27-24)20-6-4-3-5-7-20)25(29)31-16-18-10-13-23(30-2)22(26)14-18/h3-15H,16H2,1-2H3