(4-pyrazol-1-ylphenyl)methyl 3-fluoranyl-4-methyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15FN2O2 MolecularWeight: 310.322303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)F

InChI

InChI=1S/C18H15FN2O2/c1-13-3-6-15(11-17(13)19)18(22)23-12-14-4-7-16(8-5-14)21-10-2-9-20-21/h2-11H,12H2,1H3