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4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid

4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid

Systemtic Name:4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid
Openeye Name:4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid
CAS Name:4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid
IUPAC Name:4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid
Traditional Name:4-[(5-amyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-picolinic acid
Formula: C23H28N4O2
MolecularWeight: 392.49402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)CCC


Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)CCC


InChI

InChI=1S/C23H28N4O2/c1-3-5-7-12-19-25-20(27(26-19)15-4-2)16-18-13-14-24-22(23(28)29)21(18)17-10-8-6-9-11-17/h6,8-11,13-14H,3-5,7,12,15-16H2,1-2H3,(H,28,29)


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