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

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

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

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=NC=C3)C(=O)O)CCC


Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=NC=C3)C(=O)O)CCC


InChI

InChI=1S/C22H26N4O2/c1-3-5-7-21-24-20(6-4-2)25-26(21)15-16-8-10-17(11-9-16)18-12-13-23-14-19(18)22(27)28/h8-14H,3-7,15H2,1-2H3,(H,27,28)


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