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

Systemtic Name: 2-[4-[(5-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butyl-3-(1-oxopropyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-butyl-3-propionyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-3-5-10-21-24-22(20(27)4-2)25-26(21)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(28)29/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,28,29)