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

Systemtic Name: ethyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate CAS Name: 4-[[[4-ethoxy-1-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4/c1-3-28-18-13-25(17-11-7-15(22)8-12-17)24-19(18)20(26)23-16-9-5-14(6-10-16)21(27)29-4-2/h5-13H,3-4H2,1-2H3,(H,23,26)