(3-fluoranyl-4-methoxy-phenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O3/c1-14-20(15(2)24(23-14)12-16-7-5-4-6-8-16)21(25)27-13-17-9-10-19(26-3)18(22)11-17/h4-11H,12-13H2,1-3H3