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

Systemtic Name: 5-[5-butyl-3-(2-phenylethanoyl)-1,2,4-triazol-1-yl]-4-methyl-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 5-[5-butyl-3-(2-phenylacetyl)-1,2,4-triazol-1-yl]-4-methyl-2-phenyl-pyridine-3-carboxylic acid CAS Name: 5-[5-butyl-3-(1-oxo-2-phenylethyl)-1,2,4-triazol-1-yl]-4-methyl-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 5-[5-butyl-3-(2-phenylacetyl)-1,2,4-triazol-1-yl]-4-methyl-2-phenylpyridine-3-carboxylic acid Traditional Name: 5-[5-butyl-3-(2-phenylacetyl)-1,2,4-triazol-1-yl]-4-methyl-2-phenyl-nicotinic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-3-4-15-23-29-26(22(32)16-19-11-7-5-8-12-19)30-31(23)21-17-28-25(20-13-9-6-10-14-20)24(18(21)2)27(33)34/h5-14,17H,3-4,15-16H2,1-2H3,(H,33,34)