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

Systemtic Name: 5-[2-butyl-5-(2-cyclohexylethanoyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 5-[2-butyl-5-(2-cyclohexylacetyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-pyridine-3-carboxylic acid CAS Name: 5-[2-butyl-5-(2-cyclohexyl-1-oxoethyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 5-[2-butyl-5-(2-cyclohexylacetyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenylpyridine-3-carboxylic acid Traditional Name: 5-[2-butyl-5-(2-cyclohexylacetyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-nicotinic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CC2CCCCC2)C3=CN=C(C(=C3C)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC2CCCCC2)C3=CN=C(C(=C3C)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-3-4-15-31-26(29-25(30-31)22(32)16-19-11-7-5-8-12-19)21-17-28-24(20-13-9-6-10-14-20)23(18(21)2)27(33)34/h6,9-10,13-14,17,19H,3-5,7-8,11-12,15-16H2,1-2H3,(H,33,34)