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

Systemtic Name: 3-[4-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[4-[(5-butyl-3-sec-butyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-[4-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[4-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-[4-[(5-butyl-3-sec-butyl-1,2,4-triazol-1-yl)methyl]phenyl]picolinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)C(C)CC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)C(C)CC

InChI

InChI=1S/C23H28N4O2/c1-4-6-9-20-25-22(16(3)5-2)26-27(20)15-17-10-12-18(13-11-17)19-8-7-14-24-21(19)23(28)29/h7-8,10-14,16H,4-6,9,15H2,1-3H3,(H,28,29)