(5-fluoranyl-2-methoxy-phenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (5-fluoro-2-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=C(C=CC(=C3)F)OC

Isomeric SMILES

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

InChI

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