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

Systemtic Name: 3-[[5-(cyclohexylmethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[[5-(cyclohexylmethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[[5-(cyclohexylmethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[[5-(cyclohexylmethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[[2-amyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-isonicotinic acid Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CC2CCCCC2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)CC2CCCCC2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H34N4O2/c1-2-3-10-17-31-25(29-24(30-31)18-20-11-6-4-7-12-20)19-23-22(27(32)33)15-16-28-26(23)21-13-8-5-9-14-21/h5,8-9,13-16,20H,2-4,6-7,10-12,17-19H2,1H3,(H,32,33)