ethyl 4-[[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-fluorophenyl)-4-propoxy-3-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]amino]benzoic acid ethyl ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN(N=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC1=CN(N=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O4/c1-3-13-30-19-14-26(18-11-7-16(23)8-12-18)25-20(19)21(27)24-17-9-5-15(6-10-17)22(28)29-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)