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

Systemtic Name: 2-[4-[(3-butanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(1-oxobutyl)-5-propyl-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyryl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCC

Isomeric SMILES

CCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCC

InChI

InChI=1S/C23H25N3O3/c1-3-7-20(27)22-24-21(8-4-2)26(25-22)15-16-11-13-17(14-12-16)18-9-5-6-10-19(18)23(28)29/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,28,29)