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

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

Systemtic Name:4-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid
Openeye Name:4-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid
CAS Name:4-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid
IUPAC Name:4-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid
Traditional Name:4-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-picolinic acid
Formula: C22H26N4O2
MolecularWeight: 378.46744
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)CCC


Isomeric SMILES

CCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)CCC


InChI

InChI=1S/C22H26N4O2/c1-3-5-11-18-24-19(26(25-18)14-4-2)15-17-12-13-23-21(22(27)28)20(17)16-9-7-6-8-10-16/h6-10,12-13H,3-5,11,14-15H2,1-2H3,(H,27,28)


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