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

Systemtic Name: 5-[5-(2-cyclohexylethanoyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 5-[5-(2-cyclohexylacetyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid CAS Name: 5-[5-(2-cyclohexyl-1-oxoethyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 5-[5-(2-cyclohexylacetyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenylpyridine-2-carboxylic acid Traditional Name: 5-[2-amyl-5-(2-cyclohexylacetyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-picolinic acid Formula: C28H34N4O3 MolecularWeight: 474.59456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)CC2CCCCC2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)CC2CCCCC2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H34N4O3/c1-3-4-11-16-32-27(30-26(31-32)23(33)17-20-12-7-5-8-13-20)22-18-29-25(28(34)35)24(19(22)2)21-14-9-6-10-15-21/h6,9-10,14-15,18,20H,3-5,7-8,11-13,16-17H2,1-2H3,(H,34,35)