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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

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