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2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid

2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid

Systemtic Name:2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid
Openeye Name:2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid
CAS Name:2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzoic acid
IUPAC Name:2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid
Traditional Name:2-[6-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid
Formula: C21H24N4O2
MolecularWeight: 364.44086
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O)CC


Isomeric SMILES

CCCCC1=NC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O)CC


InChI

InChI=1S/C21H24N4O2/c1-3-5-10-20-23-19(4-2)24-25(20)14-16-12-11-15(13-22-16)17-8-6-7-9-18(17)21(26)27/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,26,27)


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