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

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

Systemtic Name:3-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid
Openeye Name:3-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid
CAS Name:3-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid
IUPAC Name:3-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid
Traditional Name:3-[(2,5-diamyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid
Formula: C25H32N4O2
MolecularWeight: 420.54718
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCCCC


Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCCCC


InChI

InChI=1S/C25H32N4O2/c1-3-5-8-14-22-27-23(29(28-22)17-11-6-4-2)18-21-20(25(30)31)15-16-26-24(21)19-12-9-7-10-13-19/h7,9-10,12-13,15-16H,3-6,8,11,14,17-18H2,1-2H3,(H,30,31)


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