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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=NN(C(=N1)C(C)(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC(=O)C1=NN(C(=N1)C(C)(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

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