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

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

CCCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC

Isomeric SMILES

CCCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC

InChI

InChI=1S/C24H27N3O3/c1-3-5-6-11-22-25-23(21(28)4-2)26-27(22)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)24(29)30/h7-10,12-15H,3-6,11,16H2,1-2H3,(H,29,30)