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2-[4-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
2-[4-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC
Isomeric SMILES
CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC
InChI
InChI=1S/C23H27N3O2/c1-3-5-11-22-24-21(8-4-2)25-26(22)16-17-12-14-18(15-13-17)19-9-6-7-10-20(19)23(27)28/h6-7,9-10,12-15H,3-5,8,11,16H2,1-2H3,(H,27,28)
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