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

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

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

Canonical SMILES:

CCCCCN1C(=NC(=N1)C)CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O


Isomeric SMILES

CCCCCN1C(=NC(=N1)C)CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O


InChI

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


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