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

Systemtic Name: 4-[[2-(3-butylcyclohexyl)carbonyl-1,2,4-triazol-3-yl]methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[[2-(3-butylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[[2-[(3-butylcyclohexyl)-oxomethyl]-1,2,4-triazol-3-yl]methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[[2-(3-butylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[[2-(3-butylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-picolinic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-2-3-8-18-9-7-12-21(15-18)25(31)30-22(28-17-29-30)16-20-13-14-27-24(26(32)33)23(20)19-10-5-4-6-11-19/h4-6,10-11,13-14,17-18,21H,2-3,7-9,12,15-16H2,1H3,(H,32,33)