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

Systemtic Name: 5-(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)-4-methyl-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 5-(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)-4-methyl-3-phenyl-pyridine-2-carboxylic acid CAS Name: 5-[2-butyl-5-(1-oxobutyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 5-(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)-4-methyl-3-phenylpyridine-2-carboxylic acid Traditional Name: 5-(2-butyl-5-butyryl-1,2,4-triazol-3-yl)-4-methyl-3-phenyl-picolinic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CCC)C2=CN=C(C(=C2C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CCC)C2=CN=C(C(=C2C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N4O3/c1-4-6-13-27-22(25-21(26-27)18(28)10-5-2)17-14-24-20(23(29)30)19(15(17)3)16-11-8-7-9-12-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H,29,30)