2-phenyl-4-[[2-(3-propylcyclohexyl)carbonyl-1,2,4-triazol-3-yl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 2-phenyl-4-[[2-(3-propylcyclohexyl)carbonyl-1,2,4-triazol-3-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 2-phenyl-4-[[2-(3-propylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]pyridine-3-carboxylic acid CAS Name: 4-[[2-[oxo-(3-propylcyclohexyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 2-phenyl-4-[[2-(3-propylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 2-phenyl-4-[[2-(3-propylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]nicotinic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28N4O3/c1-2-7-17-8-6-11-20(14-17)24(30)29-21(27-16-28-29)15-19-12-13-26-23(22(19)25(31)32)18-9-4-3-5-10-18/h3-5,9-10,12-13,16-17,20H,2,6-8,11,14-15H2,1H3,(H,31,32)