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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)C2=CN=C(C(=C2C)C3=CC=CC=C3)C(=O)O)CCC

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)C2=CN=C(C(=C2C)C3=CC=CC=C3)C(=O)O)CCC

InChI

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