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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3)C(=O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3)C(=O)CCC

InChI

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