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2-[4-[(3-pentyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
2-[4-[(3-pentyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O
Isomeric SMILES
CCCCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C24H29N3O2/c1-3-5-6-12-22-25-23(9-4-2)27(26-22)17-18-13-15-19(16-14-18)20-10-7-8-11-21(20)24(28)29/h7-8,10-11,13-16H,3-6,9,12,17H2,1-2H3,(H,28,29)
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