(4-butoxycarbonylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

InChI

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