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

Systemtic Name: 3-[(2-butyl-5-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-butyl-5-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(2-butyl-5-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(2-butyl-5-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-butyl-5-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C2CCCCC2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C2CCCCC2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N4O2/c1-2-3-16-29-22(27-24(28-29)19-12-8-5-9-13-19)17-21-20(25(30)31)14-15-26-23(21)18-10-6-4-7-11-18/h4,6-7,10-11,14-15,19H,2-3,5,8-9,12-13,16-17H2,1H3,(H,30,31)