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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-2-3-11-22-27-24(20-8-5-4-6-9-20)28-29(22)17-18-12-14-19(15-13-18)23-21(25(30)31)10-7-16-26-23/h7,10,12-16,20H,2-6,8-9,11,17H2,1H3,(H,30,31)