2-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butyl-3-(1-oxobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-butyl-3-butyryl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCC

InChI

InChI=1S/C24H27N3O3/c1-3-5-11-22-25-23(21(28)8-4-2)26-27(22)16-17-12-14-18(15-13-17)19-9-6-7-10-20(19)24(29)30/h6-7,9-10,12-15H,3-5,8,11,16H2,1-2H3,(H,29,30)