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

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

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

Canonical SMILES:

CCCC1=NN(C(=N1)CCC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O


Isomeric SMILES

CCCC1=NN(C(=N1)CCC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O


InChI

InChI=1S/C21H24N4O2/c1-3-7-19-23-20(8-4-2)25(24-19)14-15-11-12-18(22-13-15)16-9-5-6-10-17(16)21(26)27/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,26,27)


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