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

Systemtic Name: methyl 4-[[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O4/c1-3-12-29-18-13-25(17-10-6-15(22)7-11-17)24-19(18)20(26)23-16-8-4-14(5-9-16)21(27)28-2/h4-11,13H,3,12H2,1-2H3,(H,23,26)