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

Systemtic Name: 5-[5-(2-cyclohexylethanoyl)-2-propyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 5-[5-(2-cyclohexylacetyl)-2-propyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid CAS Name: 5-[5-(2-cyclohexyl-1-oxoethyl)-2-propyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 5-[5-(2-cyclohexylacetyl)-2-propyl-1,2,4-triazol-3-yl]-4-methyl-3-phenylpyridine-2-carboxylic acid Traditional Name: 5-[5-(2-cyclohexylacetyl)-2-propyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-picolinic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(=O)CC2CCCCC2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)C(=O)CC2CCCCC2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H30N4O3/c1-3-14-30-25(28-24(29-30)21(31)15-18-10-6-4-7-11-18)20-16-27-23(26(32)33)22(17(20)2)19-12-8-5-9-13-19/h5,8-9,12-13,16,18H,3-4,6-7,10-11,14-15H2,1-2H3,(H,32,33)