methyl 4-[[3-butyl-5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-butyl-5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: methyl 4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 4-[[3-butyl-5-keto-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester Formula: C22H22F3N3O3 MolecularWeight: 433.42359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H22F3N3O3/c1-3-4-9-19-26-28(18-8-6-5-7-17(18)22(23,24)25)21(30)27(19)14-15-10-12-16(13-11-15)20(29)31-2/h5-8,10-13H,3-4,9,14H2,1-2H3