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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CCC)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)CCC)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

InChI

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