tert-butyl 2-[3-[5-azanyl-1-(4-fluorophenyl)pyrazol-4-yl]carbonylphenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[5-azanyl-1-(4-fluorophenyl)pyrazol-4-yl]carbonylphenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]acetate CAS Name: 2-[3-[[5-amino-1-(4-fluorophenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]acetate Traditional Name: 2-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid tert-butyl ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C22H22FN3O4/c1-22(2,3)30-19(27)13-29-17-6-4-5-14(11-17)20(28)18-12-25-26(21(18)24)16-9-7-15(23)8-10-16/h4-12H,13,24H2,1-3H3