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

Systemtic Name: 4-[[5-(2-cyclohexylethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[[5-(2-cyclohexylethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[[5-(2-cyclohexylethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[[5-(2-cyclohexylethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[[2-amyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-picolinic acid Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CCC2CCCCC2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC(=N1)CCC2CCCCC2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O2/c1-2-3-10-19-32-25(30-24(31-32)16-15-21-11-6-4-7-12-21)20-23-17-18-29-27(28(33)34)26(23)22-13-8-5-9-14-22/h5,8-9,13-14,17-18,21H,2-4,6-7,10-12,15-16,19-20H2,1H3,(H,33,34)