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

Systemtic Name: 4-[[2-(3-pentylcyclohexyl)carbonyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[[2-(3-pentylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[[2-[oxo-(3-pentylcyclohexyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[[2-(3-pentylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[[2-(3-amylcyclohexanecarbonyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-nicotinic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCC1CCCC(C1)C(=O)N2C(=NC=N2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H32N4O3/c1-2-3-5-9-19-10-8-13-22(16-19)26(32)31-23(29-18-30-31)17-21-14-15-28-25(24(21)27(33)34)20-11-6-4-7-12-20/h4,6-7,11-12,14-15,18-19,22H,2-3,5,8-10,13,16-17H2,1H3,(H,33,34)