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2-[4-[(3-butanoyl-5-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
2-[4-[(3-butanoyl-5-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
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Canonical SMILES:
CCCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCC
Isomeric SMILES
CCCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCC
InChI
InChI=1S/C25H29N3O3/c1-3-5-6-12-23-26-24(22(29)9-4-2)27-28(23)17-18-13-15-19(16-14-18)20-10-7-8-11-21(20)25(30)31/h7-8,10-11,13-16H,3-6,9,12,17H2,1-2H3,(H,30,31)
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