O3-methyl O5-(phenylmethyl) 1-(4-fluorophenyl)-4-propan-2-yl-pyrazole-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(phenylmethyl) 1-(4-fluorophenyl)-4-propan-2-yl-pyrazole-3,5-dicarboxylate Openeye Name: O5-benzyl O3-methyl 1-(4-fluorophenyl)-4-isopropyl-pyrazole-3,5-dicarboxylate CAS Name: 1-(4-fluorophenyl)-4-propan-2-ylpyrazole-3,5-dicarboxylic acid O3-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-methyl 1-(4-fluorophenyl)-4-propan-2-ylpyrazole-3,5-dicarboxylate Traditional Name: 1-(4-fluorophenyl)-4-isopropyl-pyrazole-3,5-dicarboxylic acid O5-benzyl ester O3-methyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(N=C1C(=O)OC)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(N=C1C(=O)OC)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21FN2O4/c1-14(2)18-19(21(26)28-3)24-25(17-11-9-16(23)10-12-17)20(18)22(27)29-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3