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2-[4-[(5-butanoyl-2-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
2-[4-[(5-butanoyl-2-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCC(=O)C1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC
Isomeric SMILES
CCCC(=O)C1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC
InChI
InChI=1S/C22H23N3O3/c1-3-7-19(26)21-23-20(25(4-2)24-21)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22(27)28/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,27,28)
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- 2-[4-[(2-butan-2-yl-5-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
- 1-[1-(2-methylpropyl)-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-one
- 5-[2-[4-[(2-cyclohexyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole
- 1-[1-(2-methylpropyl)-5-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]propan-1-one
- 2-[4-[(2-butan-2-yl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
- 2-[4-[(2-but-3-enyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
- 2-[4-[[2-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]phenyl]benzoic acid
- 2-[4-[(2-but-3-enyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
- 5-[2-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole
- 5-[2-[4-[[5-[1,1-bis(fluoranyl)pentyl]-2-ethyl-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole
